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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_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 15:04:12       -8.732108        1.2625
BFGS:    1 15:04:12       -8.783491        1.0299
BFGS:    2 15:04:12       -8.863185        0.3016
BFGS:    3 15:04:12       -8.869194        0.0264
BFGS:    4 15:04:12       -8.869207        0.0227
BFGS:    5 15:04:12       -8.869226        0.0162
BFGS:    6 15:04:12       -8.869253        0.0141
BFGS:    7 15:04:12       -8.869268        0.0080
BFGS:    8 15:04:12       -8.869272        0.0014
BFGS:    9 15:04:12       -8.869272        0.0001
BFGS:   10 15:04:12       -8.869272        0.0000
BFGS:   11 15:04:12       -8.869272        0.0000
BFGS:   12 15:04:12       -8.869272        0.0000
Minimization converged after 12 steps.
Maximum force component: 5.27185147096911e-32 eV/Angstrom
Maximum stress component: 1.302991889916861e-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([[2.469346752105759, 1.7078647074985387e-17, 6.421303082187027e-37], [-1.2346733760528794, 2.138517018076181, 5.224355058606522e-36], [5.9623301382741363e-36, 2.441751666764444e-35, 4.014532576923649]])
forces =  [[-2.02913658e-32 -5.27185147e-32 -1.41981741e-67]
 [ 4.05827315e-32 -1.75728382e-32 -3.50152314e-68]]
stress =  [-1.30299189e-10 -1.30299189e-10 -7.61779518e-11 -7.47776020e-34
  3.62652097e-34 -9.68104283e-27]
energy per atom =  -4.434636030241361
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0