Siesta coordinates to import into VNL

[Heinz]

Hello,

I'm trying VNL and ATK. I got the following atomic coordinates from one of my friends (related to a functionalized graphene). These are cartesian coordinates from Siesta program. I tried to import into VNL but no success. Could you please help me?

The coordinates are:

0.01483081 -0.00742221 0.14682416 1 C 1
-0.85349256 0.49769778 0.00387142 1 C 2
-0.85405403 -0.50039182 -0.04330053 1 C 3
-0.00024646 1.00829486 0.04551959 1 C 4
0.56126433 0.00480596 -0.14561040 1 C 5
-0.29394182 0.50774182 0.03681364 1 C 6
-0.29496101 -0.51140389 -0.00678658 1 C 7
0.57574494 -1.01019615 -0.04346567 1 C 8
0.42304635 0.02267319 -0.70870169 2 O 9
0.70611448 -0.18549126 -0.90057901 3 H 10
0.15239408 -0.02837404 0.71003107 2 O 11
-0.12867698 0.18179787 0.90247868 3 H 12

[Anders Blom]

Shift the columns around so the element is first, and remove the integer numbers. Then add two lines at the top to turn into into XYZ format, then save as structure.xyz and import in VNL.