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 11:17:59       -5.734339         5.688425
BFGS:    1 11:17:59       -6.443747         3.835864
BFGS:    2 11:17:59       -6.903089         2.343474
BFGS:    3 11:17:59       -7.161809         1.151795
BFGS:    4 11:17:59       -7.260003         0.238345
BFGS:    5 11:17:59       -7.265105         0.033529
BFGS:    6 11:17:59       -7.265212         0.001220
BFGS:    7 11:17:59       -7.265212         0.000007
BFGS:    8 11:17:59       -7.265212         0.000000
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, -1.6007895154178576e-32, -5.730221663519747e-34], [6.195381534191921e-33, 3.170788891417706, 5.405207756358357e-18], [4.999558886199248e-34, 5.405207756358357e-18, 3.170788891417706]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.05328826e-11 -9.05328826e-11 -9.05328826e-11 -7.18353231e-31
 -5.10827844e-35 -3.03409622e-53]
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