element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_tP4_123_a_ce
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:
['3.559', '0.98817083']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[3.559, 0, 0], [0, 3.559, 0], [0, 0, 3.5169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:52:51      -15.122939         1.667351
BFGS:    1 15:52:51      -15.230263         1.463040
BFGS:    2 15:52:51      -15.409563         1.057431
BFGS:    3 15:52:51      -15.531872         0.685257
BFGS:    4 15:52:51      -15.602361         0.344754
BFGS:    5 15:52:51      -15.624948         0.042948
BFGS:    6 15:52:51      -15.625021         0.027014
BFGS:    7 15:52:51      -15.625041         0.024044
BFGS:    8 15:52:51      -15.625192         0.025502
BFGS:    9 15:52:51      -15.625357         0.026637
BFGS:   10 15:52:51      -15.625519         0.016330
BFGS:   11 15:52:51      -15.625568         0.005834
BFGS:   12 15:52:51      -15.625575         0.000837
BFGS:   13 15:52:51      -15.625575         0.000031
BFGS:   14 15:52:51      -15.625575         0.000003
BFGS:   15 15:52:51      -15.625575         0.000000
BFGS:   16 15:52:51      -15.625575         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.467845634697284e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 8.24516624e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.737326599156929, 5.639032079265316e-36, -1.246382878992769e-33], [1.7572211629461333e-35, 3.737326599156928, 1.933720529741957e-17], [-2.8235451861197393e-32, 1.8885553595503255e-17, 3.7373265987921753]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.95200872e-11 -1.95200872e-11 -5.46784563e-11  7.42747326e-27
  3.52986704e-33 -4.56448199e-49]
energy per atom =  -3.9063936952997946
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB3_tP4_123_a_ce, while relaxed is AB3_cP4_221_a_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.