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_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_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 15:53:06      -16.763786         0.214598
BFGS:    1 15:53:06      -16.764905         0.205908
BFGS:    2 15:53:06      -16.773050         0.052021
BFGS:    3 15:53:06      -16.773228         0.039192
BFGS:    4 15:53:06      -16.773276         0.037294
BFGS:    5 15:53:06      -16.773852         0.002199
BFGS:    6 15:53:06      -16.773852         0.000053
BFGS:    7 15:53:06      -16.773852         0.000001
BFGS:    8 15:53:06      -16.773852         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.852743743690381e-12 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]
 [1.16832489e-53 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.70421394e-35 5.00000000e-01]]
cellpar =  Cell([[3.5745150218877195, -3.1068975786567125e-37, 5.357493321039576e-38], [-5.244351107591724e-37, 3.5745150218877195, -1.277687777645561e-19], [-4.1391765411738426e-39, -1.2258930011144918e-19, 3.5745150219044897]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.83396073e-12  1.83396073e-12  5.85274374e-12 -7.18617866e-29
 -6.02929070e-35  3.64031623e-52]
energy per atom =  -4.193463112914724
===============================================
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.