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_KimKimJung_2017_NiAlTi__MO_478967255435_002
==== 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 15:04:38       -8.766375        1.0861
BFGS:    1 15:04:38       -8.801461        0.8841
BFGS:    2 15:04:38       -8.855603        0.1956
BFGS:    3 15:04:38       -8.856505        0.2022
BFGS:    4 15:04:38       -8.857990        0.1288
BFGS:    5 15:04:38       -8.858557        0.0368
BFGS:    6 15:04:38       -8.858629        0.0054
BFGS:    7 15:04:38       -8.858631        0.0003
BFGS:    8 15:04:38       -8.858631        0.0000
BFGS:    9 15:04:38       -8.858631        0.0000
BFGS:   10 15:04:38       -8.858631        0.0000
Minimization converged after 10 steps.
Maximum force component: 3.0622500832141925e-32 eV/Angstrom
Maximum stress component: 5.543905774078551e-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([[2.4843924198626666, 3.4733598481592695e-17, 3.6804264637146185e-37], [-1.2421962099313333, 2.151546948570564, 8.22848721358676e-37], [-3.8555524557439976e-36, 2.1921901290657747e-35, 4.09142348093694]])
forces =  [[ 3.06225008e-32 -1.76799091e-32 -1.68102293e-32]
 [-1.53112504e-32  8.83995455e-33  1.68102293e-32]]
stress =  [ 5.54390577e-10  5.54390577e-10  3.15331369e-10  8.16792974e-34
  2.02103847e-34 -3.12400315e-26]
energy per atom =  -4.429315304821026
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0