element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5446']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.5446, 0, 0], [0, 3.5446, 0], [0, 0, 3.5446]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:40:29      -15.122207         1.636986
BFGS:    1 16:40:29      -15.229625         1.432943
BFGS:    2 16:40:29      -15.412906         1.017485
BFGS:    3 16:40:29      -15.536756         0.639666
BFGS:    4 16:40:29      -15.606333         0.292146
BFGS:    5 16:40:29      -15.625533         0.013550
BFGS:    6 16:40:29      -15.625575         0.000162
BFGS:    7 16:40:29      -15.625575         0.000000
BFGS:    8 16:40:29      -15.625575         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.866570830076918e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.7373265990876003, -1.035683479466726e-32, -1.4352554034058174e-33], [-1.7243731941715696e-32, 3.7373265990876003, -5.845531481204698e-18], [-2.1405131527706447e-32, -5.8455314812046904e-18, 3.7373265990876003]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.86657083e-14 -5.86657083e-14 -5.86657083e-14 -1.70726199e-29
 -3.67694484e-35 -7.97428940e-51]
energy per atom =  -3.9063936952997933
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0