vec_a 5.1772941000 -0.0000187500 2.9890980400
vec_b 1.7257584000 4.8811995300 2.9890978900
vec_c -0.0000216800 -0.0000152300 5.9782343500
NAtomConfig 14
AtomConfig
Mn 1.512 0.8749977401 0.8749977001 0.8749996701
Mn 1.512 0.1250012098 0.1250015799 0.1250014398
Cr 1.708 0.4999992800 0.4999994600 0.4999998200
Cr 1.708 0.4999993800 0.4999995000 0.0000014100
Cr 1.708 0.9999978900 0.5000002600 0.5000009100
Cr 1.708 0.4999993400 0.9999988100 0.5000009900
O -1.117 0.2634749112 0.2634745213 0.2634737433
O -1.117 0.7365267282 0.7365262686 0.2904221567
O -1.117 0.2904242136 0.7365267299 0.7365249883
O -1.117 0.7365267098 0.2904231733 0.7365255184
O -1.117 0.7095782364 0.2634743702 0.2634732516
O -1.117 0.2634745903 0.7095777167 0.2634733716
O -1.117 0.2634744617 0.2634740014 0.7095773633
O -1.117 0.7365263088 0.7365258886 0.7365253768
SupercellExpansion 2 2 2
ChopLevel 8
RGFindFactor 1
OutputPrefix CCS02_allocation_001
verbose(Yes1No0) 0
CreateRecipeStrictMode(Yes1No0) 0
PrintTheStablestUnstablest(Yes1No0) 1
RunningIndexDelta(Negative:TargetCPUTimeInSec) -600
RunningIndexMonitor(No-1) 10000
Swap(NotSteepest2Yes1No0;For_PrintTheStablestUnstablest=1_Only) 1
MaxSwap(NoLimit-1) 100
RestartRecipeFilename(IfNo;none) none
==========================================================================================================================================================
NRecipe 2
==========================================================================================================================================================
kind=oxidation=random_pickup=random_pickup_trial=[[[to_which(kind;"vac"->delete)=to_which(oxidation)=to_which(number)]]]
==========================================================================================================================================================
Mn 1.512 16 1 Ni 1.300 2
Cr 1.708 32 1 Ni 1.300 17
==========================================================================================================================================================
NEnergyTableLine(if-1,auto) 1
==========================================================================================================================================================
-1000000000000000000000000000 0 X
==========================================================================================================================================================
Tips on SWAP: "STOPSWAP.txt" created during swap() will abort swap() in the middle of swap().