element(s):
['Ni']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7844']
model name:
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:08:21       -8.533836         0.044412
BFGS:    1 17:08:21       -8.533909         0.032509
BFGS:    2 17:08:21       -8.533994         0.000197
BFGS:    3 17:08:21       -8.533994         0.000001
BFGS:    4 17:08:21       -8.533994         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.201774121107375e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.787710554918835, -9.091604409893365e-34, 2.4093317773339698e-34], [-1.7270602780638594e-34, 2.787710554918835, -7.282250720763794e-22], [-1.4643033939097916e-33, -7.2822507207453495e-22, 2.787710554918835]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.20177412e-12 -2.20177412e-12 -2.20177412e-12 -4.90723454e-28
 -4.54345846e-35 -7.91714558e-51]
energy per atom =  -4.2669968711617665
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0