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 11:10:41      -10.445477         1.926642
BFGS:    1 11:10:41      -10.581191         1.452254
BFGS:    2 11:10:41      -10.715407         0.613454
BFGS:    3 11:10:41      -10.725536         0.282703
BFGS:    4 11:10:41      -10.728241         0.290538
BFGS:    5 11:10:41      -10.748434         0.225506
BFGS:    6 11:10:41      -10.762327         0.152813
BFGS:    7 11:10:41      -10.773074         0.149215
BFGS:    8 11:10:41      -10.781910         0.154036
BFGS:    9 11:10:41      -10.788923         0.162218
BFGS:   10 11:10:41      -10.792997         0.147512
BFGS:   11 11:10:41      -10.794298         0.036563
BFGS:   12 11:10:41      -10.794381         0.000786
BFGS:   13 11:10:41      -10.794381         0.000568
BFGS:   14 11:10:41      -10.794381         0.000031
BFGS:   15 11:10:41      -10.794381         0.000001
BFGS:   16 11:10:41      -10.794381         0.000000
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.