element(s):
['Co', 'Fe']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7068']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7068, 0, 0], [0, 3.7068, 0], [0, 0, 3.7068]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:27:17      -38.298799         8.422517
BFGS:    1 10:27:18      -39.484465         7.335917
BFGS:    2 10:27:20      -40.473758         5.768611
BFGS:    3 10:27:20      -41.191679         3.666021
BFGS:    4 10:27:20      -41.535754         0.829365
BFGS:    5 10:27:20      -41.550319         0.178809
BFGS:    6 10:27:20      -41.550990         0.006030
BFGS:    7 10:27:20      -41.550990         0.000042
BFGS:    8 10:27:20      -41.550990         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.643017279102869e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Fe']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.38928801e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.5102366297954455, 6.571407195829135e-33, 2.0701871171158853e-32], [8.420826705696067e-33, 3.510236629795446, 1.6562368922186472e-17], [-3.775823435114704e-33, 1.6562368922186472e-17, 3.5102366297954455]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.64301728e-10 -8.64301728e-10 -8.64301728e-10  2.58633054e-25
 -2.58278766e-58 -8.99882140e-59]
energy per atom =  -10.387747599660072
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0