update example dump files to contain atom property names

This commit is contained in:
danielque
2023-08-10 13:26:48 +02:00
parent 539fd060c2
commit e1556451fa
5 changed files with 5 additions and 5 deletions

View File

@ -6,7 +6,7 @@ ITEM: BOX BOUNDS
-6.2035 6.2035
-6.2035 6.2035
-6.2035 6.2035
ITEM: ATOMS
ITEM: ATOMS id type x y z
1965739326 1 -2.73852 3.76042 0.0137829
1638062651 1 -4.08446 0.411239 0.994664
574343881 1 -2.25466 -3.0259 -0.036883

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@ -6,7 +6,7 @@ ITEM: BOX BOUNDS
0 35.8569
0 35.8569
-0.1 0.1
ITEM: ATOMS
ITEM: ATOMS id type xs ys zs
1 2 0.972698 0.992397 0.5
2 1 0.0517232 0.999069 0.5
3 1 0.0504894 0.0385782 0.5

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@ -6,7 +6,7 @@
36.8401937129895 64.2115601793071
41.0136911525442 68.3850576188589
29.7680952261698 57.1394616924871
ITEM: ATOMS
ITEM: ATOMS id type xs ys zs ix iy iz
31 3 0.22450 0.39503 0.37295 0 0 0
306 14 0.29326 0.17604 0.15395 0 0 0
16 8 0.31495 0.27307 0.07008 0 0 0

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@ -6,7 +6,7 @@ ITEM: BOX BOUNDS
0 27.9398
0 27.9398
0 27.9398
ITEM: ATOMS
ITEM: ATOMS id type xs ys zs ix iy iz
1 1 0.410912 0.570945 0.36491 0 0 0
2 2 0.376227 0.6013 0.339084 0 0 0
3 3 0.397383 0.536983 0.387988 0 0 0

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@ -6,7 +6,7 @@ ITEM: BOX BOUNDS
0.482127 27.3191
0.477796 27.3148
0.47406 27.3111
ITEM: ATOMS
ITEM: ATOMS id type xs ys zs ix iy iz
1 1 0.404224 0.524373 0.362448 0 0 0
2 2 0.364265 0.561026 0.358768 0 0 0
3 3 0.394989 0.481736 0.350359 0 0 0