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 09:17:36      -15.122939        1.6674
BFGS:    1 09:17:36      -15.230263        1.4630
BFGS:    2 09:17:36      -15.409563        1.0574
BFGS:    3 09:17:36      -15.531872        0.6853
BFGS:    4 09:17:36      -15.602361        0.3448
BFGS:    5 09:17:36      -15.624948        0.0429
BFGS:    6 09:17:36      -15.625021        0.0270
BFGS:    7 09:17:36      -15.625041        0.0240
BFGS:    8 09:17:36      -15.625192        0.0255
BFGS:    9 09:17:36      -15.625357        0.0266
BFGS:   10 09:17:36      -15.625519        0.0163
BFGS:   11 09:17:36      -15.625568        0.0058
BFGS:   12 09:17:36      -15.625575        0.0008
BFGS:   13 09:17:36      -15.625575        0.0000
BFGS:   14 09:17:36      -15.625575        0.0000
BFGS:   15 09:17:36      -15.625575        0.0000
BFGS:   16 09:17:36      -15.625575        0.0000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.467940915430045e-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 0.00000000e+00]
 [1.23364095e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.03064578e-34 5.00000000e-01]]
cellpar =  Cell([[3.7373265991569253, -3.923599781834267e-36, 1.2473353402159633e-32], [9.871864092920629e-36, 3.737326599156925, 3.783949882091301e-18], [-4.944497620928554e-33, 3.727171222602239e-18, 3.7373265987921727]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.95211165e-11 -1.95211165e-11 -5.46794092e-11 -1.19902057e-26
  4.65145578e-44  1.02244788e-59]
energy per atom =  -3.906393695299797
===============================================
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.