ioChem-BD

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lattice ​

Implementation level ​

TypeStatus
CML extraction template
HTML5 representation

Template attributes ​

AttributeValue
sourceVASP outcar
idlattice
nameLattice vectors
pattern\s*direct\slattice\svectors\s*reciprocal\slattice\svectors.*
endPattern\s*
endPattern2~
endOffset0
repeat*
xml:baseposition/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 ​

xml
<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 ​

xml
<templateList>  <template pattern="\s*direct\slattice\svectors\s*reciprocal\slattice\svectors.*" endPattern="~">    <record repeat="1" />    <record>&#123;3F,cc:lattice&#125;.*</record>    <record>&#123;3F,cc:lattice&#125;.*</record>    <record>&#123;3F,cc:lattice&#125;.*</record>    <transform process="pullup" xpath=".//cml:array" repeat="2" />                               
        </template>   
    </templateList>
<transform process="delete" xpath=".//cml:module" />