lattice

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
Template attributes

Attribute

Value

source

VASP outcar

id

lattice

name

Lattice vectors

pattern

\s*direct\slattice\svectors\s*reciprocal\slattice\svectors.*

endPattern

\s*

endPattern2

~

endOffset

0

repeat

*

xml:base

position/lattice.xml

Input

  direct lattice vectors                 reciprocal lattice vectors
13.011000000  0.000000000  0.000000000     0.076858043  0.000000000  0.000000000
 0.000000000 13.011000000  0.000000000     0.000000000  0.076858043  0.000000000
 0.000000000  0.000000000 19.337000000     0.000000000  0.000000000  0.051714330

Output text

1<comment class="example.output" id="lattice">
2        <module cmlx:templateRef="lattice">
3            <array dataType="xsd:double" dictRef="cc:lattice" size="3">13.011000000 0.000000000 0.000000000</array>
4            <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 13.011000000 0.000000000</array>
5            <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 19.337000000</array>
6        </module>
7    </comment>

Template definition

1<templateList>  <template pattern="\s*direct\slattice\svectors\s*reciprocal\slattice\svectors.*" endPattern="~">    <record repeat="1" />    <record>{3F,cc:lattice}.*</record>    <record>{3F,cc:lattice}.*</record>    <record>{3F,cc:lattice}.*</record>    <transform process="pullup" xpath=".//cml:array" repeat="2" />
2        </template>
3    </templateList>
4<transform process="delete" xpath=".//cml:module" />