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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_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 17:08:07       -8.810886         0.127402
BFGS:    1 17:08:07       -8.811497         0.096151
BFGS:    2 17:08:07       -8.812294         0.001683
BFGS:    3 17:08:07       -8.812294         0.000022
BFGS:    4 17:08:07       -8.812294         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.3917010606469244e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7742025760980598, 7.404933226565627e-33, -2.6482691727353502e-40], [4.2165057857056214e-33, 2.7742025760980598, 2.978006693293629e-20], [-6.091019134173466e-39, 2.9780066932936284e-20, 2.7742025760980598]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [4.39170106e-10 4.39170106e-10 4.39170106e-10 1.26627781e-32
 6.67318057e-35 7.26248132e-55]
energy per atom =  -4.4061471112195685
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0