?????XML???
?????XML????????????????????????????????????????????????????????
???crystal ??
<crystal title=" Title">
? ???site?bond???
</crystal>
Title?????
- ?????????????
???vector ????????(????)
<vector a1=" x1,y1,z1" a2=" x2,y2,z2" a3=" x3,y3,z3" />
x1,y1,z1?????a1???
x2,y2,z2?????a2???
x3,y3,z3?????a3???
- 3????????????????????
* ???????????????????1???????????????????????
* ???????????????????????????1/4??????
???center ????(????)
<center position=" i, j, k" />
i, j, k?????
- ????????????????????3?????????
*???????????????(0,0,0)??????
???site ???
<site id=" SiteID" position=" i, j,
k" color=" Color" />
SiteID??????????
- ????????????????????????bond?????????????????
i, j, k???????
- ???????????????????3?????????
Color?????
- #RRGGBB??256??16??????????????
???bond ???
<bond site1=" SiteID1" site2=" SiteID2" />
SiteID1,SiteID2????ID
- ????????2??????ID(site?id????????????)???????
*??????ID????????????????????????????????(????????)?
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