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 09:17:50      -16.763786        0.2146
BFGS:    1 09:17:51      -16.764905        0.2059
BFGS:    2 09:17:51      -16.773050        0.0520
BFGS:    3 09:17:51      -16.773228        0.0392
BFGS:    4 09:17:51      -16.773276        0.0373
BFGS:    5 09:17:51      -16.773852        0.0022
BFGS:    6 09:17:51      -16.773852        0.0001
BFGS:    7 09:17:51      -16.773852        0.0000
BFGS:    8 09:17:51      -16.773852        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.853033015299618e-12 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([[3.5745150218877204, -4.145259758047841e-37, 1.0704709979161516e-38], [2.0869940862853767e-36, 3.574515021887721, 1.8763958989701374e-18], [1.724542670989125e-33, 1.855314034179002e-18, 3.57451502190449]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.83462557e-12  1.83462557e-12  5.85303302e-12 -1.15153829e-28
  1.93870079e-45 -2.91935538e-62]
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.