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 12:44:20      -18.522285         0.155544
BFGS:    1 12:44:20      -18.523046         0.135758
BFGS:    2 12:44:20      -18.525298         0.033293
BFGS:    3 12:44:20      -18.525316         0.032559
BFGS:    4 12:44:20      -18.525868         0.016057
BFGS:    5 12:44:21      -18.525911         0.001483
BFGS:    6 12:44:21      -18.525912         0.000161
BFGS:    7 12:44:21      -18.525912         0.000016
BFGS:    8 12:44:21      -18.525912         0.000001
BFGS:    9 12:44:21      -18.525912         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.728495109282672e-10 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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.36274942e-35 5.00000000e-01]]
cellpar =  Cell([[3.5331696163663917, 3.26997101263659e-36, 6.983217046129541e-33], [1.778519138632167e-36, 3.5331696163663917, 8.512775000151649e-19], [-2.09334800139034e-34, 8.488302168482922e-19, 3.533169623462624]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.26733988e-10 -2.26733988e-10  6.72849511e-10 -1.24041273e-25
 -5.32989221e-44  8.78697148e-60]
energy per atom =  -4.631477962970733
===============================================
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.