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_Mishin_2004_NiAl__MO_101214310689_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      -18.486812         0.335146
BFGS:    1 15:53:06      -18.490326         0.291272
BFGS:    2 15:53:06      -18.500080         0.045337
BFGS:    3 15:53:06      -18.500129         0.034071
BFGS:    4 15:53:06      -18.500192         0.028356
BFGS:    5 15:53:06      -18.500351         0.037971
BFGS:    6 15:53:06      -18.500583         0.039084
BFGS:    7 15:53:06      -18.500791         0.024670
BFGS:    8 15:53:06      -18.500869         0.008920
BFGS:    9 15:53:07      -18.500879         0.001189
BFGS:   10 15:53:07      -18.500880         0.000049
BFGS:   11 15:53:07      -18.500880         0.000004
BFGS:   12 15:53:07      -18.500880         0.000000
BFGS:   13 15:53:07      -18.500880         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.191692019312366e-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 8.55775014e-38]
 [1.19741976e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.60801930e-38 5.00000000e-01]]
cellpar =  Cell([[3.5713654440943325, 1.0832634350735053e-34, 5.744620437483042e-35], [2.825134727731849e-34, 3.571365444094331, -1.528946997817844e-22], [5.388066394951513e-35, -2.39572065117419e-22, 3.5713654437178834]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.81641012e-11 -2.81641012e-11 -8.19169202e-11 -3.21057411e-27
 -2.41597193e-34 -7.04631446e-51]
energy per atom =  -4.605840400602328
===============================================
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.