element(s):
['Al', 'Co']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6669']
model name:
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.6669, 0, 0], [0, 3.6669, 0], [0, 0, 3.6669]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:08:26      -16.980256         1.258063
BFGS:    1 17:08:26      -17.047480         1.235545
BFGS:    2 17:08:26      -17.227794         1.165355
BFGS:    3 17:08:26      -17.395162         1.057443
BFGS:    4 17:08:26      -17.542108         0.889566
BFGS:    5 17:08:27      -17.657526         0.631671
BFGS:    6 17:08:27      -17.725887         0.258295
BFGS:    7 17:08:27      -17.735684         0.083573
BFGS:    8 17:08:27      -17.736620         0.008589
BFGS:    9 17:08:27      -17.736631         0.000289
BFGS:   10 17:08:27      -17.736631         0.000001
BFGS:   11 17:08:28      -17.736631         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4114931722941611e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co', 'Co', 'Co']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.396538282650457, 6.361855108997468e-34, -2.2108524552440176e-33], [-9.175256094624933e-34, 3.396538282650457, -4.960419881841282e-18], [-6.751950213894789e-33, -4.960419881841282e-18, 3.396538282650457]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.41149317e-11  1.41149317e-11  1.41149317e-11 -1.11549741e-26
  5.34216670e-34 -1.18782113e-49]
energy per atom =  -4.434157712470396
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0