lattice

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source VASP outcar
id lattice
name Lattice vectors
pattern \s*directslatticesvectorss*reciprocalslatticesvectors.*
endPattern \s*w+.*$s*
endOffset 1
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.

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

Template definition.

<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" />
        </template>
    </templateList>
<transform process="delete" xpath="./cml:module" />