atom.info

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source VASP outcar
id atom.info
name Atom additional information
pattern \s+MasssofsIonssinsam.*
endPattern \s*
endPattern2 s*AtomicsWigner-Seitzsradii.*
repeat *
xml:base incar/atom.info.xml

Output text.

<comment class="example,output" id="atom.info">
  Mass of Ions in am
   POMASS = 140.12 16.00 12.01  1.00
  Ionic Valenz
   ZVAL   =  12.00  6.00  4.00  1.00
  Atomic Wigner-Seitz radii
 </comment>

Output text.

<comment class="example.output" id="atom.info">
        <module cmlx:templateRef="atom.info">
            <list cmlx:templateRef="missingID">
                <list />
            </list>
            <list cmlx:templateRef="missingID">
                <array dataType="xsd:double" dictRef="cc:mass" size="4">47.88 16.00 12.01 1.00</array>
            </list>
            <list cmlx:templateRef="missingID">
                <list />
            </list>
            <list cmlx:templateRef="missingID">
                <array dataType="xsd:double" dictRef="cc:valence" size="4">10.00 6.00 4.00 1.00</array>
            </list>
        </module>
    </comment>

Template definition.

<record repeat="1" />
<record>\s+POMASS\s+={1_50F,cc:mass}</record>
<record repeat="1" />
<record>\s+ZVAL\s+={1_50F,cc:valence}</record>