????(??)

??????????????????????????(?,?)???????????????????????(????)????????????????????????????????????????????

*?????????????SHIFT??????????????????????????

????

?????[+][-]????????????????????????????????????????????????????????????????????????????????

*[+][-]????SHIFT????????????????????????????

???????

?????[EDIT]?????????????(XML??)?????????????????????????????"<site>"??????????"<bond>"????????

<?xml version="1.0" ?>
<crystal title="Methane">
<site id="C1" position=" 0.0, 0.0, 0.0" color="#33cc00" />
<site id="H1" position=" 0.5, 0.5, 0.5" color="#ffcc00" />
<site id="H2" position="-0.5,-0.5, 0.5" color="#ffcc00" />
<site id="H3" position=" 0.5,-0.5,-0.5" color="#ffcc00" />
<site id="H4" position="-0.5, 0.5,-0.5" color="#ffcc00" />
<bond site1="C1" site2="H1" />
<bond site1="C1" site2="H2" />
<bond site1="C1" site2="H3" />
<bond site1="C1" site2="H4" />
</crystal>

?????XML???

?????XML????????????????????????????????????????????????????????