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_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
==== 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 16:56:58      -18.522285         0.155544
BFGS:    1 16:56:59      -18.523046         0.135758
BFGS:    2 16:56:59      -18.525298         0.033293
BFGS:    3 16:56:59      -18.525316         0.032559
BFGS:    4 16:56:59      -18.525868         0.016057
BFGS:    5 16:56:59      -18.525911         0.001483
BFGS:    6 16:56:59      -18.525912         0.000161
BFGS:    7 16:56:59      -18.525912         0.000016
BFGS:    8 16:56:59      -18.525912         0.000001
BFGS:    9 16:56:59      -18.525912         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.728500168843545e-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([[3.5331696163663917, 3.169926987686922e-36, 5.87754312686535e-36], [2.194952042431965e-36, 3.533169616366392, 1.2667462623572046e-18], [4.1983140217779076e-32, 1.2702867748164808e-18, 3.533169623462625]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.26733443e-10 -2.26733443e-10  6.72850017e-10 -5.52339360e-26
  1.06893647e-41 -7.20302948e-58]
energy per atom =  -4.631477962970732
===============================================
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.