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_JeongParkDo_2018_PdNi__MO_008996216289_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: 9.569531536160985e-34 eV/Angstrom
Maximum stress component: 5.55203205200136e-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([[2.4843924266429323, 3.0931761871007946e-17, -3.968797275043131e-37], [-1.2421962133214661, 2.1515469544424466, -1.6685290761391825e-35], [1.1538419906483652e-35, 5.49634072345009e-35, 4.091423385576928]])
forces =  [[-3.18984385e-34  5.52497161e-34 -4.28462681e-69]
 [-9.56953154e-34  5.52497161e-34 -4.18271181e-69]]
stress =  [ 5.55203205e-10  5.55203205e-10  3.15713543e-10  3.50054139e-34
 -2.02103851e-34  6.63719191e-26]
energy per atom =  -4.429315304529349
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0