Where did you get that 50.9 gr water capacity from ? That sounds like brim-full measurement, not the one that P-Max (or any other simulator) needs. The actual powder space with a bullet seated. Easily measured yourself, hypodermic through the flash hole method. Or back calculated the way e.g. QL tries to do it.
Your link to your P-max results doesn't work. You need to take a screenshot to show us.
Here is how I would approach it:
50.9 gr water brim full. Data from where ? Have you weighed it yourself ?
Cartridge drawing
https://saami.org/wp-content/uploads/2018/04/6mm-Creedmoor.pdf
Bullet seated to say the full length of the neck, up to the shoulder junction (obviously depends on your seating depth, but I have to start somewhere).
Neck is 6.83 mm long. Cartridge is 48.77 mm long (max)
Bullet is nominally 0.243" i.e. 6.172mm diameter. (No, not 6mm. Neither are 6.5mm mm bullets actually 6.5mm)
Thus therefore, pi r^2 d, modelled as a piston, the seated bullet takes up 65 cubic mm. Or milligrams of water. I.e. 1 grain.
So punch your load into P-max with corrected powder space of 49.9 gr water.
View attachment 277960
Which looks pretty poor, in load density, MV and energy.
Sure, if you crank up the powder load to say 62,000 PSI, SAAMI MAP, you might get up to say 42 gr. Do not fool yourself, just a fraction of a grain over and it is spiking. Badly. In this simulation. If Vhit. say 38.4 gr is the max. I suggest that you believe them. If they thought it safe to load hotter, they would have done so.
I assume that you were using this Lapua data
Rifle reloading data | Handloading | Rifle calibers | Centerfire Rifle bullets | Reload your own ammo - Vihtavuori Which shows that N150 is not the best powder. Too fast. NB their test barrel was 26" in length. Which makes more than a slight difference.
View attachment 277969
So, put the Lapua data, 38.4 gr N150, 26" barrel, back into P-max, and you see this:
View attachment 277970
Which, to my mind, shows reasonable correspondence with Lapua tested data. Lapua say 3196 fps. Lapua brass also, primer unspecified. P-max predicts 3070 fps, with my handwaving assumptions.
A 6mm Creedmoor might be able to nearly match a 243 Winchester. In fact, all things being equal, a 243 has a little bit more powder capacity.. With the right powder. That fills the case. ISTM that the benefit of the 6.0 CM is primarily the faster twist for heavy bullets, as well as the possible slight accuracy benefits of the subtle case and chamber and freebore dimensions.
TBH I think, in the absence of anything better, you could just use 243 load data and work up cautiously. Such as tis:
Rifle reloading data | Handloading | Rifle calibers | Centerfire Rifle bullets | Reload your own ammo - Vihtavuori
Most Vhit. powders have been reformulated in recent years. For better temperature stability, copper fouling modifiers, changed manufacturing methods etc. Necessitating slight adjustments to load data. As well as simulation models. If using current supplies, use current load data.
That is a new one to me. Never seen anything like it. Logically that soot (if it is soot) cannot have leaked from the primer. Nor blown down all the way from the case mouth, along the case wall, then ended up in the rim. Leaving no traces elsewhere.
So, logically, it must have leaked out from some defect around the rim of the case head. Which I suppose might happen, very rarely, from a one-off manufacturing defect. But to do it consistently for several cases ? I have no answer.