l101.isotope2

Table 139. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

None implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idl101.isotope2
pattern\s*Atom.*$\s*IAtWgt.*
endPattern\s*Generating.*
endPattern2\s*$\s*
endPattern3\s*Leave\sLink.*
endPattern4~
endPattern5\s*(NMagM|AtZNuc)\=.*$\s*$\s+((?!Atom).)*
endOffset1
xml:basel101/l101.isotope2.xml


Input. 

                            Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=         103           1          12          16          31          31          16          16          16          12
 AtmWgt= 102.9048000   1.0078250  12.0000000  15.9949146  30.9737634  30.9737634  15.9949146  15.9949146  15.9949146  12.0000000
 NucSpn=           1           1           0           0           1           1           0           0           0           0
 AtZEff=-229.5000000  -1.0000000  -3.9000000  -6.0000000-180.0000000-180.0000000  -6.0000000  -6.0000000  -6.0000000  -3.9000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=   -0.0884000   2.7928460   0.0000000   0.0000000   1.1316000   1.1316000   0.0000000   0.0000000   0.0000000   0.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1          12          12          12          12          12          12          12
 AtmWgt=  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           1           1           0           0           0           0           0           0           0
 AtZEff=  -3.9000000  -1.0000000  -1.0000000  -3.9000000  -3.9000000  -3.9000000  -3.9000000  -3.9000000  -3.9000000  -3.9000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=  -3.9000000  -3.9000000  -3.9000000  -3.9000000  -3.9000000  -3.9000000  -3.9000000  -3.9000000  -3.9000000  -3.9000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000

  Atom        31
 IAtWgt=          12
 AtmWgt=  12.0000000
 NucSpn=           0
 AtZEff=  -3.9000000
 NQMom=    0.0000000
 NMagM=    0.0000000

  

Output text. 

<comment class="example.output" id="l101.isotope2">
      <module cmlx:lineCount="31" cmlx:templateRef="l101.isotope2">
		   <array dataType="xsd:integer" size="31" dictRef="x:x" cmlx:templateRef="atom">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31</array>
		   <array dataType="xsd:integer" size="31" dictRef="x:x" cmlx:templateRef="iatwgt">103 1 12 16 31 31 16 16 16 12 12 1 1 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12</array>
		   <array dataType="xsd:double" size="31" dictRef="x:x" cmlx:templateRef="atmwgt">102.9048 1.007825 12.0 15.9949146 30.9737634 30.9737634 15.9949146 15.9949146 15.9949146 12.0 12.0 1.007825 1.007825 12.0 12.0 12.0 12.0 12.0 12.0 12.0 12.0 12.0 12.0 12.0 12.0 12.0 12.0 12.0 12.0 12.0 12.0</array>
		   <array dataType="xsd:integer" size="31" dictRef="x:x" cmlx:templateRef="nucspn">1 1 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0</array>
		   <array dataType="xsd:double" size="31" dictRef="x:x" cmlx:templateRef="atzeff">-229.5 -1.0 -3.9 -6.0 -180.0 -180.0 -6.0 -6.0 -6.0 -3.9 -3.9 -1.0 -1.0 -3.9 -3.9 -3.9 -3.9 -3.9 -3.9 -3.9 -3.9 -3.9 -3.9 -3.9 -3.9 -3.9 -3.9 -3.9 -3.9 -3.9 -3.9</array>
		   <array dataType="xsd:double" size="31" dictRef="x:x" cmlx:templateRef="nqmom">0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0</array>
	  </module>
  </comment>