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:
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
==== 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 15:53:06      -18.522285         0.155543
BFGS:    1 15:53:06      -18.523046         0.135759
BFGS:    2 15:53:06      -18.525298         0.033298
BFGS:    3 15:53:06      -18.525316         0.032558
BFGS:    4 15:53:06      -18.525869         0.016112
BFGS:    5 15:53:06      -18.525911         0.001446
BFGS:    6 15:53:06      -18.525912         0.000170
BFGS:    7 15:53:06      -18.525912         0.000016
BFGS:    8 15:53:06      -18.525912         0.000001
BFGS:    9 15:53:06      -18.525912         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.12491575938535e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]]
cellpar =  Cell([[3.5331696323100013, 1.7540044208080943e-36, 1.1221789787465105e-31], [-1.6357786863006324e-36, 3.533169632310001, 5.144605568257838e-17], [6.977193299925445e-33, 5.1043742920838524e-17, 3.533169639925157]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.52807349e-10 -2.52807349e-10  7.12491576e-10  1.15557986e-24
 -1.23424531e-34 -2.39028934e-50]
energy per atom =  -4.614568130732777
===============================================
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.