element(s):
['Al', 'Co']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.9525']
Parameter values for parameter set 1:
['2.8121']
model name:
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.9525, 0, 0], [0, 2.9525, 0], [0, 0, 2.9525]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:42:17      -10.267738        1.2325
BFGS:    1 14:42:17      -10.327075        1.0052
BFGS:    2 14:42:17      -10.409700        0.0027
BFGS:    3 14:42:17      -10.409700        0.0008
BFGS:    4 14:42:17      -10.409701        0.0000
BFGS:    5 14:42:17      -10.409701        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.2703167310238154e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.852543103847185, 1.0002347775508205e-32, -5.630524129849806e-33], [1.575632278615195e-32, 2.852543103847185, -5.447049848406573e-20], [3.616842909886395e-33, -5.447049848407017e-20, 2.852543103847185]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.27031673e-12  5.27031673e-12  5.27031673e-12 -2.27029233e-28
 -1.00986837e-33  3.70444662e-50]
energy per atom =  -4.097036445721029
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8121, 0, 0], [0, 2.8121, 0], [0, 0, 2.8121]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:42:19      -10.378444        0.7432
BFGS:    1 14:42:19      -10.397517        0.4564
BFGS:    2 14:42:19      -10.409645        0.0296
BFGS:    3 14:42:19      -10.409700        0.0019
BFGS:    4 14:42:19      -10.409701        0.0000
BFGS:    5 14:42:19      -10.409701        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.610873940189421e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.852543103390214, -2.880590384714695e-33, -2.2639669890925227e-35], [-1.8008573733750533e-33, 2.852543103390214, -3.0239385251352855e-21], [5.603122876284608e-34, -3.023938525136096e-21, 2.852543103390214]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.61087394e-10 -6.61087394e-10 -6.61087394e-10 -2.64736007e-26
 -2.01973674e-33 -1.06684270e-49]
energy per atom =  -4.0970364457210255
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0