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 11:35:33      -38.298799         8.422517
BFGS:    1 11:35:33      -39.484465         7.335917
BFGS:    2 11:35:33      -40.473758         5.768611
BFGS:    3 11:35:33      -41.191679         3.666021
BFGS:    4 11:35:33      -41.535754         0.829365
BFGS:    5 11:35:33      -41.550319         0.178809
BFGS:    6 11:35:33      -41.550990         0.006030
BFGS:    7 11:35:33      -41.550990         0.000042
BFGS:    8 11:35:33      -41.550990         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.642983255462408e-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 2.19464401e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.510236629795446, -9.498957342779506e-35, 5.042936199727546e-33], [1.2061056662413793e-32, 3.5102366297954464, 1.1146091505709057e-17], [-5.823774549077443e-33, 1.1146091505709056e-17, 3.510236629795446]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.64298326e-10 -8.64298326e-10 -8.64298326e-10  1.68594605e-26
  6.66893390e-34 -1.19657044e-51]
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