element(s):
['Ni']
AFLOW prototype label:
A_hP2_194_c
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:
['2.582', '1.5943455']
model name:
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.582, 0, 0], [-1.291, 2.2360775925714, 0], [0, 0, 4.1166]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 01:28:19       -8.785631         1.095995
BFGS:    1 01:28:19       -8.822246         0.879106
BFGS:    2 01:28:19       -8.875477         0.191130
BFGS:    3 01:28:19       -8.876090         0.173824
BFGS:    4 01:28:19       -8.877838         0.008628
BFGS:    5 01:28:19       -8.877843         0.000539
BFGS:    6 01:28:19       -8.877843         0.000001
BFGS:    7 01:28:19       -8.877843         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.5326859674385044e-32 eV/Angstrom
Maximum stress component: 4.254079731829149e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.48692516682855, 1.916135714125946e-18, -3.779576389827801e-36], [-1.243462583414275, 2.1537403717843775, 2.7805714824224855e-37], [-2.6300863851520267e-36, -7.538543680706326e-36, 4.079817473565431]])
forces =  [[ 1.53268597e-32 -8.84896656e-33 -5.23829509e-34]
 [ 1.53268597e-32 -8.84896656e-33  5.23829509e-34]]
stress =  [ 4.25407973e-10  4.25407973e-10 -3.67408041e-10  6.42936113e-34
  1.01236183e-34 -6.13783178e-26]
energy per atom =  -4.438921565350273
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0