Spinel Inverse

[Rifqi Ardiyansyah]

Hello Vampire User
Let me introduce myself, I'm Rifqi Ardiyansyah, a Physics undergraduate student at the University of Jember. I'm currently conducting research on the Curie Temperature and hysteresis in CoFe2O4 with an inverse spinel crystal structure. I'm having difficulty distributing atoms at each site to create an inverse spinel. Here is the mat file I've compiled. Is this correct? I'd like guidance, and I'm trying without using a ucf file.

#----------------------------------------------------------
#         CoFe2O4 material file
#----------------------------------------------------------
material:num-materials = 4

#---------------------------------------------------------
# FeA (Tetrahedal)
#----------------------------------------------------------
material[1]:material-name = FeA          
material[1]:damping-constant = 1.0 #0.063
material[1]:atomic-spin-moment = 5 !muB
material[1]:cubic-anisotropy-constant = 5.65e-25
material[1]:material-element = Fe
material[1]:initial-spin-direction = random #-1,-1,-1
material[1]:unit-cell-category = 1

#----------------------------------------------------------
# FeB (Octahedral)
#----------------------------------------------------------
material[2]:material-name = FeB
material[2]:damping-constant = 1.0
material[2]:atomic-spin-moment = 5.0 !muB
material[2]:cubic-anisotropy-constant = 5.65e-25
material[2]:material-element = Fe
material[2]:initial-spin-direction = random #1,1,1
material[2]:alloy-host
material[2]:alloy-fraction[4]=0.5
material[2]:unit-cell-category = 2

#----------------------------------------------------------
# Oxygen (Non-magnetic)
#----------------------------------------------------------
material[3]:material-name = O
material[3]:non-magnetic = remove
material[3]:damping-constant = 1.0
material[3]:atomic-spin-moment = 1.0 !muB
material[3]:cubic-anisotropy-constant = 0
material[3]:material-element = O
material[3]:unit-cell-category = 3

#----------------------------------------------------------
# Co (Octahedral)
#----------------------------------------------------------
material[4]:material-name = Co
material[4]:damping-constant = 1.0
material[4]:atomic-spin-moment = 3.0 !muB
material[4]:cubic-anisotropy-constant = 6.69e-24
material[4]:material-element = Co
material[4]:initial-spin-direction = random
material[4]:unit-cell-category = 2

#----------------------------------------------------------
# Exchange matriks
#----------------------------------------------------------
material[1]:exchange-matrix[1] = 2.2044e-21     #!FeA-FeA
material[1]:exchange-matrix[2] = -3.6241e-21    #!FeA-FeB
material[1]:exchange-matrix[3] = 0              #!FeA-Oxygen
material[1]:exchange-matrix[4] = -3.6241e-21    #!FeA-Co

material[2]:exchange-matrix[1] = -3.6241e-21    #!FeB-FeA
material[2]:exchange-matrix[2] = 2.6849e-21     #!FeB-FeB
material[2]:exchange-matrix[3] = 0              #!FeB-Oxygen
material[2]:exchange-matrix[4] = 2.6849e-21     #!FeB-Co

material[3]:exchange-matrix[1] = 0              #!Oxygen-FeA
material[3]:exchange-matrix[2] = 0              #!Oxygen-FeB
material[3]:exchange-matrix[3] = 0              #!Oxygen-Oxygen
material[3]:exchange-matrix[4] = 0              #!Oxygen-Co

material[4]:exchange-matrix[1] = -3.6241e-21    #!Co-FeA
material[4]:exchange-matrix[2] = 2.6849e-21     #!Co-FeB
material[4]:exchange-matrix[3] = 0              #!Co-Oxygen
material[4]:exchange-matrix[4] = 2.6849e-21     #!Co-Co

this file log and input file