lattice

Table 565. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Total implementation


Table attributesTable. Template attributes

AttributeValue
source VASP outcar
idlattice
nameLattice vectors
pattern\s*direct\slattice\svectors\s*reciprocal\slattice\svectors.*
endPattern\s*\w+.*$\s*
endOffset1
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. 

<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>