Examples for Schema 2.4
We have attempted to provide at least one example for each element. (There are also some examples for many of
the attributes and types). The examples show minimal examples of how each element can be used and so are a
guide to its semantics. By convention an element foo
will have an example foo1.cml
there may be further examples (foo2.cml
etc.) which are often more complex.
Click on a link below to view the example
- action1
- action2
- actionList1
- alternative1
- alternativeType1
- amount1
- angle1
- annotation1
- appinfo1
- arg1
- arg2
- array1
- array2
- array3
- atom1
- atom2
- atomArray1
- atomArray2
- atomicBasisFunction1
- atomIDType1
- atomParity1
- atomRefArrayType1
- atomRefs21
- atomRefs31
- atomRefs41
- atomRefType1
- atomSet1
- atomTest
- atomType1
- atomTypeList1
- band1
- basisSet1
- basisSet2
- basisSet3
- bond1
- bond2
- bond3
- bond4
- bondArray1
- bondRefArrayType1
- bondSet1
- bondStereo1
- bondType1
- bondTypeList1
- box31
- cml2
- cmlone
- complexObject1
- conditionList1
- coordinateComponentArrayType1
- coordinateComponentArrayType2
- countType1
- crystal1
- crystal2
- dataTypeType1
- definition1
- delimiterType1
- description1
- dictionary1
- dictionary2
- dictRefGroup1
- dictRefGroup2
- dimension1
- dimension2
- documentation1
- eigen1
- eigen2
- electron1
- electron2
- elementTypeArrayType1
- elementTypeType1
- entry1
- enumeration1
- expression1
- formalChargeType1
- formula1
- formula2
- formula3
- formulaType1
- gradient1
- ichi
- idArrayType1
- identifier1
- identifier2
- isotope1
- isotope2
- isotope3
- isotope4
- isotopeList1
- join1
- kpoint1
- label1
- lattice3
- latticeVector1
- latticeVector2
- length1
- line31
- list1
- matrix1
- maxType1
- mechanism1
- mechanismComponent1
- metadata1
- module1
- molecule1
- moleculeTable1
- name1
- namespaceRefType1
- nonNegativeAngleType
- object1
- observation1
- parameter1
- parameterList1
- particleRefType1
- peak1
- peak2
- peakGroup1
- peakList1
- peakStructure1
- peakStructure1Schema
- peakStructure2
- peakStructure2Schema
- plane31
- point31
- positiveAngleType
- potential1
- potentialForm1
- potentialList1
- productList1
- property1
- propertyList1
- reactant1
- reactantList1
- reaction1
- reaction10a
- reaction10b
- reaction11
- reaction5
- reaction6
- reaction7
- reaction9a
- reaction9b
- reactionList1
- reactionList2
- reactionScheme1
- reactionScheme3
- reactionScheme4a
- reactionScheme4b
- reactionStepList1
- reactionStepList2
- reactionStepList3
- reactionStepList4
- reactionStepList5a
- reactiveCentre1
- refGroup1
- region1
- region2
- sample1
- scalar1
- space1
- spectator1
- spectatorList1
- spectrum1
- spectrum2-local
- spectrum2
- spectrum3
- spectrum4
- spectrum5
- spectrumData1
- spectrumList1
- sphere31
- spin1
- stateType1
- stmml1
- substance1
- substanceList1
- substanceList2
- symmetry1
- symmetry2
- system1
- table1
- table4
- table5
- table6
- table7
- title1
- torsion1
- transitionState1
- unitList1
- unitType1
- unitType2
- vector31
- xaxis
- xaxis1
- yaxis
- yaxis1
- zMatrix1