Target	Mn 0.1250000000 Cr 0.1339285714 Ni 0.1696428571 O 0.5714285714
NumberFixedAt(IfNotUse,"*";NTargetShouldBeInteger)	O
NTargetSites	112
NRandomSeeds	2000
ShellWidth	1.0
WYCIdentityLength	0.2
ABCWeights	2.0 2.0 1.0
ChopLevel	100
TargetCPUTimeInSec	600
OutputFilename	CCS02_formalcharge_MnCr2O4_20260425.txt
====IonList====
Mn 1.5121650000
Cr 1.7079510000
Ni 1.2998350000
O -1.1318530000
STOP
====InputFilename_Prefix_SapceGroup_Recipe_List====
POSCAR-MnCr2O4.vasp CCS02_formalcharge_MnCr2O4 1 NRecipe= 2 ( Mn -> Mn Ni ) ( Cr -> Cr Ni )
STOP
====AddedKind=NAdded=Oxidation=[[[NeighboringKind=dNeighboringOxidation(ForNeighboringDistanceMax>10000,Only)=NeighboringDistanceMin=NeighboringDistanceMax]]]====
STOP
SHJobnameCommand ##
WhichESS /Users/bama/Dropbox/data/code/EwaldSolidSolution/AI-analysis/EwaldSolidSolution.x
WhichEwald2VASP++ none
WhichVASP none
QSubCommand(ForChain) squeue
ChainCommand(WorksForAFTERANY_Only) #SBATCH -d afterany
MPIcommand mpirun
VASPTransfer(Yes1No0)	0
VASPNPAR	1
VASPOutputDirectory /Users/bama/Dropbox/data/code/EwaldSolidSolution/AI-analysis/spinel-HEO/vasp_out
VASPPseudoDir /Users/bama/Dropbox/data/code/EwaldSolidSolution/AI-analysis/potcar
VASPMLFF(Yes1No0)	0
VASPGGA PE
====VASPAtomNameChangeList[Title,n*(nameA_B)]====
identity Mn Mn Cr Cr Ni Ni O O
STOP
=====SH_Header_forESS[ForJobTitle,Use"(*Jobname*)"]=====
#!/bin/sh
# CCS02 formal-charge ESS preparation
STOP
=====SH_Header_forVASP(geometry-optimization)[ForJobTitle,Use"(*Jobname*)"]=====
#!/bin/sh
# local VASP header placeholder
STOP
