element(s):
['Ni', 'Pt']
AFLOW prototype label:
AB_tP2_123_a_d
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:
['2.7699', '1.2938373']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.7699, 0, 0], [0, 2.7699, 0], [0, 0, 3.5838]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:32:45      -10.445477        1.9266
BFGS:    1 16:32:45      -10.581191        1.4523
BFGS:    2 16:32:45      -10.715407        0.6135
BFGS:    3 16:32:45      -10.725536        0.2827
BFGS:    4 16:32:45      -10.728241        0.2905
BFGS:    5 16:32:45      -10.748434        0.2255
BFGS:    6 16:32:45      -10.762327        0.1528
BFGS:    7 16:32:45      -10.773074        0.1492
BFGS:    8 16:32:45      -10.781910        0.1540
BFGS:    9 16:32:45      -10.788923        0.1622
BFGS:   10 16:32:45      -10.792997        0.1475
BFGS:   11 16:32:45      -10.794298        0.0366
BFGS:   12 16:32:45      -10.794381        0.0008
BFGS:   13 16:32:45      -10.794381        0.0006
BFGS:   14 16:32:45      -10.794381        0.0000
BFGS:   15 16:32:45      -10.794381        0.0000
BFGS:   16 16:32:45      -10.794381        0.0000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.515835787327093e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8506190198501256, -3.244401216252334e-34, 1.7587414650514894e-32], [1.4310874352264675e-34, 2.8506190198501256, -3.0819985688880696e-17], [1.641725059673873e-32, -3.7041439670952576e-17, 2.850619015362747]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.51583579e-10  2.51583579e-10 -1.51288529e-10  1.27796058e-26
 -7.58424072e-34 -9.66384483e-50]
energy per atom =  -5.3971906237585054
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_tP2_123_a_d, while relaxed is AB_cP2_221_a_b. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.