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 00:24:21      -14.124948         4.457448
BFGS:    1 00:24:21      -14.722858         3.531836
BFGS:    2 00:24:21      -15.189417         2.704604
BFGS:    3 00:24:21      -15.538722         1.967062
BFGS:    4 00:24:21      -15.783620         1.311226
BFGS:    5 00:24:21      -15.935808         0.729761
BFGS:    6 00:24:21      -16.005929         0.215934
BFGS:    7 00:24:21      -16.013268         0.018678
BFGS:    8 00:24:21      -16.013325         0.000546
BFGS:    9 00:24:21      -16.013325         0.000001
BFGS:   10 00:24:21      -16.013325         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.609498760667615e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.80477434e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.03285682e-34]]
cellpar =  Cell([[3.83088145623987, 5.0353283207767075e-33, -2.0879158294651637e-33], [-2.148378771207859e-33, 3.83088145623987, 1.0754121470792089e-17], [1.6551628379620585e-32, 1.075412147079207e-17, 3.83088145623987]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.60949876e-12 -8.60949876e-12 -8.60949876e-12 -2.79429621e-27
 -2.84909411e-59 -1.33617763e-61]
energy per atom =  -4.003331321977415
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0