Returnables

Atoms and atomic states

Keyword	Short Description	Long Description	Type	*
AtomInchi	The IUPAC International Chemical Identifier InChI	The IUPAC International Chemical Identifier (InChI) is a textual identifier for chemical substances, designed to provide a standard and human-readable way to encode atomic and molecular information and facilitate the search and exchange of such such information in databases and on the web.	String
AtomInchiKey	InChi key is hashed form of InChI name of an atom/ion/isotope	InChi key is hashed, fixed-length (currently 27 character) form of International Chemical Identifier (InChI) string describing a given atom/ion/isotope. InChIKeys consist of 14 characters resulting from a hash of the connectivity information of the InChI, followed by a hyphen, followed by 9 characters resulting from a hash of the remaining layers of the InChI, followed by a single character indication the version of InChI used, another hyphen, followed by single checksum character. More information about InChI and InChI Key can be found at http://www.iupac.org/inchi/	String
AtomIonCharge	Atomic charge	Ionization stage with 0 for neutral	Integer
AtomIsoelectronicSequence	Atom isoelectrionic sequence	Atom isoelectrionic sequence	String
AtomMass	Atomic mass expressed in atomic mass units u.	The atomic mass is the mass of an atom expressed in unified atomic mass unit u. It is defined as 1/12 of the rest mass of an unbound carbon-12 atom in its nuclear and electronic ground state. 1 u = 1.660538782(83)E-27 kg.	Float	*
AtomMassNumber	Atomic mass number is the total number of protons and neutrons in atomic nucleus.	Atomic mass number (A), also called mass number or nucleon number, is the total number of protons and neutrons (together known as nucleons) in an atomic nucleus. Because protons and neutrons both are baryons, the mass number A is identical with the baryon number B as of the nucleus as of the whole atom or ion. The mass number is different for each different isotope of a chemical element.	Integer
AtomNuclearCharge	Atomic number	Atomic number or nuclear charge	Integer
AtomNuclearSpin	The total angular momentum of a nucleus.	The total angular momentum of a nucleus, usually represented as l. For electrons spin and orbital angular momentum are treated separately but particles in a nucleus generally behave as a single entity with intrinsic angular momentum I. Associated with each nuclear spin is a nuclear magnetic moment which produces magnetic interactions with its environment.	Float
AtomSpeciesID	Reference to the species associated with particular state(s)	Reference key generated by the node software that connects processes and states to specific species. Each such key points at a single Species block in the XSAMS structure,	String
AtomStateAuxillary	This attribute should be set to true if and only if a state was added to be referenced as energyOrigin of StateEnergy or lowestEnergyStateRef of Nuclear spin isomer and does not actually match the conditions of a query that produced the document.	This attribute should be set to true if and only if a state was added to be referenced as energyOrigin of StateEnergy or lowestEnergyStateRef of Nuclear spin isomer and does not actually match the conditions of a query that produced the document.	Boolean
AtomStateComponentComment	Describes one component of the atomic state wavefunction in specific basis	Sate description involves particular basis in which the wavefunction can be described by a number of components and corresponding quantum numbers. In this case a comment can be added to each component.	String
AtomStateComponentMethod	Method for atomic state component	Method for atomic state component	String
AtomStateComponentRef	Reference for atomic state component	Reference for atomic state component	String
AtomStateCompositionComment	Description on the basis used for wavefunction decomposition.	Atomic state is describe in particular framework resulting in specific presentation of the wavefunction. This comment is supposed to clarify the basis used for representing the specific state.	String
AtomStateConfigurationLabel	State description following one of the spectroscopic convention.	String representing configuration in a condensed form. For instance, one may prefer to make use of a short configuration label 2s2.2p instead of providing details of shell populations etc.	String
AtomStateCoreTermJ1J2	J1 or J2 quantum number for atomic core described in J1J2 coupling.	J1 or J2 quantum number for atomic core described in J1J2 coupling.	Integer
AtomStateCoreTermJJ	j quantum number for the jj coupling view of an atomic core.	j quantum number for the jj coupling view of an atomic core.	Integer
AtomStateCoreTermJKJ	J quantum number for the JK coupling view of an atomic core.	J quantum number for the JK coupling view of an atomic core. J can be integer or half-integer.	Float
AtomStateCoreTermJKK	K quantum number for the JK coupling view of an atomic core.	K quantum number for the JK coupling view of an atomic core. K can be integer or half-integer.	Float
AtomStateCoreTermJKS2	S2 quantum number for the JK coupling view of an atomic core.	S2 quantum number for the JK coupling view of an atomic core. S2 is the spin of the "external" term that couples with K to produce J. S2 is usually half-integer.	Float
AtomStateCoreTermLKK	K quantum number for the LK coupling view of an atomic core.	K quantum number for the LK coupling view of an atomic core. K is the angular momentum of the "final" term is produced by the coupling of the total angular momentum L with the spin of the core S1. K is usually half-integer.	Float
AtomStateCoreTermLKL	L quantum number for the LK coupling view of an atomic core.	L quantum number for the LK coupling view of an atomic core. L is the total angular momentum. L is integer.	Integer
AtomStateCoreTermLKLSymbol	Core angular momentum symbol???	Core angular momentum symbol??? For example, "p".	Integer
AtomStateCoreTermLKS2	S2 quantum number for the LK coupling view of an atomic core.	S2 quantum number for the LK coupling view of an atomic core. S2 is the spin of the "external" term. S2 is usually half-integer.	Float
AtomStateCoreTermLSL	L quantum number for the LS coupling view of an atomic core.	L quantum number for the LS coupling view of an atomic core. L is the total orbital angular momentum of the core which couples to the total spin S to produce J. L is integer.	Integer
AtomStateCoreTermLSLSymbol	Core angular momentum symbol???	For example, "p".	String
AtomStateCoreTermLSMultiplicity	Multiplicity of the core.	Multiplicity of the core. Multiplicity is 2*S+1, where S is the total spin of the core.	Integer
AtomStateCoreTermLSS	S quantum number for the LS coupling view of an atomic core.	S quantum number for the LS coupling view of an atomic core. S is the total spin which couples with the orbital angular momentum of the core L to produce J. S is integer or half-integer.	Float
AtomStateCoreTermLSSeniority	Seniority for core electrons.	Seniority for core electrons.	Integer
AtomStateCoreTermLabel	Condensed name of a term.	This string element is used to represent an atomic term in a condensed form, if necessary. For instance, one may prefer to make use of a term label 3P instead of separately indicating the term S and L values.	String
AtomStateCoreTotalAngMom	Total angular moment of state core.	Total angular moment of state core.	Integer
AtomStateCoupling	Coupling scheme used to describe the state.	Coupling scheme used to describe the state. Currently five coupling schemes are supported LS, jj, J1J2, jK and LK. For a detailed description of these and other schemes see, e.g., Atomic Spectroscopy at http://physics.nist.gov/Pubs/AtSpec/index.html	String
AtomStateDescription	State description	Good luck	String
AtomStateElementCore	Compact representation of the atomic core.	Optional AtomicCore element (type AtomicCoreType), that is used to compactly represent the atomic core. For instance, one may prefer to use notation [Ne]3d to describe the excited configuration in a Na-like ion. In this case, it would be sufficient to only indicate the ElementCore element set to "Ne".	String
AtomStateEnergy	Level energy	Energy of the level	Float	*
AtomStateHyperfineConstantA	Hyperfine structure constant A	Hyperfine splitting due to magnetic dipole interaction	Float	*
AtomStateHyperfineConstantB	Hyperfine structure constant B	Hyperfine splitting due to electric quadrupole interaction	Float	*
AtomStateHyperfineMomentum	hyperfine momentum of atomic state	hyperfine momentum of atomic state	Float
AtomStateID	Atomic state ID	ID for an atomic state, e.g. for linking a process to the state	String
AtomStateIonizationEnergy	Ionization energy	Ionization energy in eV	Float	*
AtomStateKappa	Relativistic correction.	Relativistic correction.	Float
AtomStateLandeFactor	Lande factor	Lande factor	Float	*
AtomStateLifeTime	Atomic level life time	Life time of an atomic state in s.	Float	*
AtomStateMagneticQuantumNumber	Magnetic quantum number of a state.	Magnetic quantum number of a state, can be integer or half-integer, positive and negative.	Float
AtomStateMixingCoeff	Mixing coefficient.	Mixing coefficient is the coefficient in the expansion of a wave function on a specific basis. It could be - squared (non-negative) or signed. The mandatory attribute mixingClass indicates the nature of the mixing coefficient and the specifics of the expansion.	Float
AtomStateMixingCoeffClass	Type of the mixing coefficient.	Mandatory attribute of the mixing coefficient with one of the two values: "squared" or "signed"	String
AtomStateParity	State parity.	State parity. Can have values: "even", "odd" or "undefined"	String
AtomStatePolarizability	State polarizability.	State polarizability.	Float	*
AtomStateQuantumDefect	Quantum defect correction.	The quantum defect is a correction applied to the potential to account for the fact that the inner electrons do not entirely screen the corresponding charge of the nucleus. It is particularity important for atoms with single electron in the outer shell.	Float	*
AtomStateRef	Atomic state references.	The bibliographical references for a particular atomic state.	String
AtomStateShellID	Atomic shell ID.	Atomic shell ID generated by a database.	String
AtomStateShellKappa	Relativistic correction.	Relativistic correction.	Float
AtomStateShellNumberOfElectrons	Number of electrons in a shell.	Number of electrons in a specific shell.	Integer
AtomStateShellOrbitalAngMom	Shell orbital angular momentum	Shell orbital angular momentum	Integer
AtomStateShellOrbitalAngMomSymbol	Shell angular momentum symbol?.	Shell angular momentum symbol?.	String
AtomStateShellPairID	ID for a pair of shells.	ID for a pair of shells for mixed states assigned by a database.	String
AtomStateShellPairShell1ID	ID for shell1 in a pair.	ID for shell1 in a pair of shells assigned by a database.	String
AtomStateShellPairShell1Kappa	Relativistic correction for shell 1.	Relativistic correction for shell 1 in a pair.	Float
AtomStateShellPairShell1NumberOfElectrons	Number of electrons in shell 1.	Number of electrons in shell 1 in a pair.	Integer
AtomStateShellPairShell1OrbitalAngMom	Orbital angular momentum of shell 1.	Orbital angular momentum of shell 1 in a pair.	Integer
AtomStateShellPairShell1OrbitalAngmomSymbol	Orbital angular momentum symbol for shell 1.	Orbital angular momentum symbol for shell 1 in a pair.	String
AtomStateShellPairShell1Parity	Parity of shell 1.	Parity of shell 1 in a pair.	String
AtomStateShellPairShell1QN	Principal quantum number of shell 1.	Principal quantum number of shell 1 in a pair.	Integer
AtomStateShellPairShell1TermJ1J2	J1 or J2 for shell 1.	J1 or J2 in J1J2 coupling for shell 1 in a pair. Can be integer of half-integer.	Float
AtomStateShellPairShell1TermJJ	j (JJ) for shell 1.	j in jj coupling for shell 1 in a pair. Could be integer or half-integer.	Float
AtomStateShellPairShell1TermJKJ	j (jK) for shell 1.	j in jK coupling for shell 1 in pair. Could be integer or half-integer.	Float
AtomStateShellPairShell1TermJKK	K (jK) for shell 1.	K in jK coupling for shell 1 in a pair. Could be integer or half-integer.	Float
AtomStateShellPairShell1TermJKS2	S2 (jK) for shell 1.	S2 (spin of external electrons) in jK coupling for shell 1 in a pair. Could be integer or half-integer.	Float
AtomStateShellPairShell1TermLKK	K (LK) for shell 1.	K in LK coupling for shell 1 in a pair. Could be integer or half-integer..	Float
AtomStateShellPairShell1TermLKL	L (LK) for shell 1.	L in LK coupling for shell 1 in a pair. Could be integer or 0.	Integer
AtomStateShellPairShell1TermLKLSymbol	L symbol for shell 1.	Orbital angular momentum symbol in LK coupling for shell 1 in a pair.	String
AtomStateShellPairShell1TermLKS2	S2 (LK) for shell 1.	S2 (spin of external electrons) in jK coupling for shell 1 in a pair. Could be integer or half-integer.	Float
AtomStateShellPairShell1TermLSL	L (LS) for shell 1.	L in LS coupling for shell 1 in a pair. Could be integer or 0.	Integer
AtomStateShellPairShell1TermLSLSymbol	L symbol (LS) for shell 1.	Orbital angular momentum symbol in LS coupling for shell 1 in a pair.	String
AtomStateShellPairShell1TermLSMultiplicity	Multiplicity for shell 1.	Multiplicity (2s+1) for shell 1 in a pair in LS coupling. Positive integer.	Integer
AtomStateShellPairShell1TermLSS	Spin (LS) for shell 1.	Spin for shell 1 in a pair in LS coupling. Non-negative integer or half-integer.	Float
AtomStateShellPairShell1TermLSSeniority	Seniority for shell 1.	Seniority for shell 1 in a pair in LS coupling. Non-negative integer.	Integer
AtomStateShellPairShell1TermLabel	Term label for shell 1.	Term label for shell 1.	String
AtomStateShellPairShell1TotalAngMom	J for shell 1.	Total angular momentum J for shell 1 in a pair. Could be non-negative integer or half-integer.	Float
AtomStateShellPairShell2ID	ID for shell2 in a pair.	ID for shell2 in a pair of shells assigned by a database.	String
AtomStateShellPairShell2Kappa	Relativistic correction for shell 2 in a pair.	Relativistic correction for shell 2 in a pair.	Float
AtomStateShellPairShell2NumberOfElectrons	Number of electrons in shell 2.	Number of electrons in shell 2 in a pair.	Integer
AtomStateShellPairShell2OrbitalAngMom	Orbital angular momentum of shell 2.	Orbital angular momentum of shell 2 in a pair.	Integer
AtomStateShellPairShell2OrbitalAngMomSymbol	Orbital angular momentum symbol for shell 2.	Orbital angular momentum symbol for shell 2 in a pair.	String
AtomStateShellPairShell2Parity	Parity of shell 2.	Parity of shell 2 in a pair.	String
AtomStateShellPairShell2QN	Principal quantum number of shell 2.	Principal quantum number of shell 2 in a pair.	Integer
AtomStateShellPairShell2TermJ1J2	J1 or J2 for shell 2.	J1 or J2 in J1J2 coupling for shell 2 in a pair. Can be integer of half-integer..	Float
AtomStateShellPairShell2TermJJ	j (JJ) for shell 2.	j in jj coupling for shell 2 in a pair. Could be integer or half-integer.	Float
AtomStateShellPairShell2TermJKJ	j (jK) for shell 2.	j in jK coupling for shell 2 in a pair. Could be integer or half-integer..	Float
AtomStateShellPairShell2TermJKK	K (jK) for shell 2.	K in jK coupling for shell 2 in a pair. Could be integer or half-integer.	Float
AtomStateShellPairShell2TermJKS2	S2 (jK) for shell 2.	S2 (spin of external electrons) in jK coupling for shell 2 in a pair. Could be integer or half-integer.	Float
AtomStateShellPairShell2TermLKK	K (LK) for shell 2.	K in LK coupling for shell 2 in a pair. Could be integer or half-integer.	Float
AtomStateShellPairShell2TermLKL	L (LK) for shell 2.	L in LK coupling for shell 2 in a pair. Could be integer or 0.	Integer
AtomStateShellPairShell2TermLKLSymbol	L symbol for shell 2.	Orbital angular momentum symbol in LK coupling for shell 2 in a pair.	Integer
AtomStateShellPairShell2TermLKS2	S2 (LK) for shell 2.	S2 (spin of external electrons) in jK coupling for shell 2 in a pair. Could be integer or half-integer.	Float
AtomStateShellPairShell2TermLSL	L (LS) for shell 2.	L in LK coupling for shell 2 in a pair. Could be integer or 0.	Integer
AtomStateShellPairShell2TermLSLSymbol	L symbol (LS) for shell 2.	Orbital angular momentum symbol in LS coupling for shell 2 in a pair.	String
AtomStateShellPairShell2TermLSMultiplicity	Multiplicity for shell 2.	Multiplicity (2s+1) for shell 2 in a pair in LS coupling. Positive integer.	Integer
AtomStateShellPairShell2TermLSS	Spin (LS) for shell 2.	Spin for shell 2 in a pair in LS coupling. Non-negative integer or half-integer.	Float
AtomStateShellPairShell2TermLSSeniority	Seniority for shell 2.	Seniority for shell 2 in a pair in LS coupling. Non-negative integer.	Integer
AtomStateShellPairShell2TermLabel	Term label for shell 2.	Term label for shell 2.	String
AtomStateShellPairShell2TotalAngMom	J for shell 2.	Total angular momentum J for shell 2 in a pair. Could be non-negative integer or half-integer.	Float
AtomStateShellPairTermJ1J2	J1J2 quantum numbers for atomic state shell pair term	J1J2 quantum numbers for atomic state shell pair term	Integer
AtomStateShellPairTermJJ	JJ quantum numbers for atomic state shell pair term	JJ quantum numbers for atomic state shell pair term	Integer
AtomStateShellPairTermJKJ	JkJ quantum numbers for atomic state shell pair term	JkJ quantum numbers for atomic state shell pair term	Integer
AtomStateShellPairTermJKK	JKK quantum numbers for atomic state shell pair term	JKK quantum numbers for atomic state shell pair term	Integer
AtomStateShellPairTermJKS2	JKS2 quantum numbers for atomic state shell pair term	JKS2 quantum numbers for atomic state shell pair term	Integer
AtomStateShellPairTermLKK	LKK quantum numbers for atomic state shell pair term	LKK quantum numbers for atomic state shell pair term	Integer
AtomStateShellPairTermLKL	LKL quantum numbers for atomic state shell pair term	LKL quantum numbers for atomic state shell pair term	Integer
AtomStateShellPairTermLKLSymbol	Symbol for LKL quantum numbers for atomic state shell pair term	Symbol for LKL quantum numbers for atomic state shell pair term	Integer
AtomStateShellPairTermLKS2	LKS2 quantum numbers for atomic state shell pair term	LKS2 quantum numbers for atomic state shell pair term	Integer
AtomStateShellPairTermLSL	LSL quantum numbers for atomic state shell pair term	LSL quantum numbers for atomic state shell pair term	Integer
AtomStateShellPairTermLSLSymbol	Symbol for LSL quantum numbers for atomic state shell pair term	Symbol for LSL quantum numbers for atomic state shell pair term	Integer
AtomStateShellPairTermLSMultiplicity	Multiplicity for LS in atomic state shell pair term	Multiplicity for LS in atomic state shell pair term	Integer
AtomStateShellPairTermLSS	LSS quantum numbers for atomic state shell pair term	LSS quantum numbers for atomic state shell pair term	Integer
AtomStateShellPairTermLSSeniority	Seniority of LSS for atomic state shell pair term	Seniority of LSS for atomic state shell pair term	Integer
AtomStateShellPairTermLabel	Label for atomic state shell pair term	Label for atomic state shell pair term	String
AtomStateShellParity	Parity of atomic state shell	Parity of atomic state shell	Integer
AtomStateShellPrincipalQN	Shell principal Quantum number	Shell principal Quantum number	Integer
AtomStateShellTermJ1J2	J1J2 quantum numbers of atomic state shell	J1J2 quantum numbers of atomic state shell	Integer
AtomStateShellTermJJ	JJ quantum numbers of atomic state shell	JJ quantum numbers of atomic state shell	Integer
AtomStateShellTermJKJ	,	,	Integer
AtomStateShellTermJKS	JKS quantum numbers of atomic state shell	JKS quantum numbers of atomic state shell	Integer
AtomStateShellTermK	K quantum number of atomic state shell	K quantum number of atomic state shell	Integer
AtomStateShellTermLKK	LKK quantum numbers of atomic state shell	LKK quantum numbers of atomic state shell	Integer
AtomStateShellTermLKL	LKL quantum numbers of atomic state shell	LKL quantum numbers of atomic state shell	Integer
AtomStateShellTermLKLSymbol	Symbol for LKL quantum numbers of atomic state shell	Symbol for LKL quantum numbers of atomic state shell	String
AtomStateShellTermLKS2	LKS2 quantum numbers of atomic state shell	LKS2 quantum numbers of atomic state shell	Integer
AtomStateShellTermLSL	LSL quantum numbers of atomic state shell	LSL quantum numbers of atomic state shell	Integer
AtomStateShellTermLSLSymbol	Symbol for LSL quantum numbers of atomic state shell	Symbol for LSL quantum numbers of atomic state shell	Integer
AtomStateShellTermLSMultiplicity	Multiplicity of LS quantum numbers of atomic state shell	Multiplicity of LS quantum numbers of atomic state shell	Integer
AtomStateShellTermLabel	Term Label of atomic state shell	Term Label of atomic state shell	Integer
AtomStateShellTermS	S quantum number of atomic state shell	S quantum number of atomic state shell	Integer
AtomStateShellTermSeniority	Seniority of atomic state shell	Seniority of atomic state shell	Integer
AtomStateShellTotalAngMom	Total angular momentum of atomic state shell	Total angular momentum of atomic state shell	Integer
AtomStateStatisticalWeight	Statistical weight of atomic state	Statistical weight of atomic state	Float
AtomStateSuperShellNumberOfElectrons	Number of electrons in atomic state super shell	Number of electrons in atomic state super shell	Integer
AtomStateSuperShellPrincipalQN	Principal Quantum number for supershell	Principal Quantum number for supershell	Integer
AtomStateTermJ1J2	J1 or J2 quantum number for atomic core described in J1J2 coupling.	J1 or J2 quantum number for atomic core described in J1J2 coupling.	Integer
AtomStateTermJJ	JJ quantum numbers of atomic state	JJ quantum numbers of atomic state	Integer
AtomStateTermJKJ	JKJ quantum numbers of atomic state	JKJ quantum numbers of atomic state	Integer
AtomStateTermJKK	JKK quantum numbers of atomic state	JKK quantum numbers of atomic state	Integer
AtomStateTermJKS	JKS quantum numbers of atomic state	JKS quantum numbers of atomic state	Integer
AtomStateTermLKK	LKK quantum numbers of atomic state	LKK quantum numbers of atomic state	Integer
AtomStateTermLKL	LKL quantum numbers of atomic state	LKL quantum numbers of atomic state	Integer
AtomStateTermLKLSymbol	Symbol for LKL quantum numbers of atomic state	Symbol for LKL quantum numbers of atomic state	Integer
AtomStateTermLKS2	LKS2 quantum numbers of atomic state	LKS2 quantum numbers of atomic state	Integer
AtomStateTermLSL	LSL quantum numbers of atomic state	LSL quantum numbers of atomic state	Integer
AtomStateTermLSLSymbol	Symbol for LSL quantum numbers of atomic state	Symbol for LSL quantum numbers of atomic state	String
AtomStateTermLSMultiplicity	Multiplicity of LS for atomic state	Multiplicity of LS for atomic state	Integer
AtomStateTermLSS	LSS quantum numbers of atomic state	LSS quantum numbers of atomic state	Float
AtomStateTermLSSeniority	Seniority of LSS quantum numbers of atomic state	Seniority of LSS quantum numbers of atomic state	Integer
AtomStateTermLabel	Term Label for atomic state	Term Label for atomic state	String
AtomStateTotalAngMom	Total angular moment of state core.	Total angular moment of state core.	Integer
AtomSymbol	Atom	Atomic name	String

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Molecules, their states and quantum numbers

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Keyword	Short Description	Long Description	Type	*
MoleculeBasisStates	The basis states for a set of molecular states expressed as a linear combination on some basis	The basis states for a set of molecular states expressed as a linear combination on some basis
MoleculeCASRegistryNumber	CAS registry number of molecule	CAS registry number of molecule	String
MoleculeCNPIGroup	CNPI group of molecule	CNPI group of molecule	String
MoleculeChemicalName	Molecule name	Conventional molecule name, e.g. CO2, NH3, Feh (may not be unique)	String
MoleculeComment	Comment on molecule	Comment on molecule	String
MoleculeIUPACName	IUPAC name of molecule	IUPAC name of molecule	String
MoleculeInchi	Inchi of molecule	Inchi of molecule	String
MoleculeInchiKey	InchiKey if molecule	InchiKey if molecule	String
MoleculeIonCharge	Molecule ion charge	Molecule ion charge	Integer
MoleculeMolecularWeight	molecular weight	molecular weight	Float	*
MoleculeNormalModeDisplacementVectorComment	Comments concerning this normal mode's displacement vectors	Comments concerning this normal mode's displacement vectors	String
MoleculeNormalModeDisplacementVectorMethod	Method for displacement vector in molecule normal mode	Method for displacement vector in molecule normal mode	String
MoleculeNormalModeDisplacementVectorRef	A reference to the atom in the molecule's structure to which this displacement vector applies	A reference to the atom in the molecule's structure to which this displacement vector applies	String
MoleculeNormalModeDisplacementVectorX3	The x-component of this atom's displacement vector	The x-component of this atom's displacement vector	Float
MoleculeNormalModeDisplacementVectorY3	The y-component of this atom's displacement vector	The y-component of this atom's displacement vector	Float
MoleculeNormalModeDisplacementVectorZ3	The z-component of this atom's displacement vector	The z-component of this atom's displacement vector	Float
MoleculeNormalModeElectronicState	A reference to the electronic state within which this normal mode applies	A reference to the electronic state within which this normal mode applies	String
MoleculeNormalModeHarmonicFrequency	Harmonic frequency	The harmonic frequency of a normal mode.	Float	*
MoleculeNormalModeID	Normal mode ID	The ID of this normal mode	String
MoleculeNormalModeIntensity	Normal mode intensity	Normal mode intensity	Float	*
MoleculeNormalModeMethod	Method for molecule normal mode	Method for molecule normal mode	String
MoleculeNormalModePointGroupSymmetry	Normal mode symmetry species	The symmetry species of this normal mode within the point group of the molecule in the specified electronic state	String
MoleculeNormalModeRef	References for molecule normal mode	References for molecule normal mode	String
MoleculeOrdinaryStructuralFormula	The ordinary structural formula for the molecule	The ordinary structural formula, as it is usually written, for the molecule	String
MoleculePartitionFunction	List of temperatures for which the partition functions are specified.	List of temperatures for which the partition functions are specified.	Float
MoleculePartitionFunctionNSILowestEnergyStateRef	Reference to the lowest rovibronic state of the nuclear spin isomer for which the partition functions are specified	Reference to the lowest rovibronic state of the nuclear spin isomer for which the partition functions are specified	String
MoleculePartitionFunctionNSILowestRoVibSym	Symmetry of the lowest rovibronic state of the nuclear spin isomer.	Symmetry of the lowest rovibronic state of the nuclear spin isomer.	String
MoleculePartitionFunctionNSIName	Name of the nuclear spin isomer for which the partition functions are specified	Name of the nuclear spin isomer for which the partition functions are specified	String
MoleculePartitionFunctionNSISymGroup	Symmetry group in which the symmetry of lowest rovibronic state of the nuclear spin isomer is specified	Symmetry group in which the symmetry of lowest rovibronic state of the nuclear spin isomer is specified	String
MoleculePartitionFunctionQ	List of partition functions	List of partition functions	Float
MoleculePartitionFunctionUnit	Unit(s) in which the temperatures for partition functions are given	Unit(s) in which the temperatures for partition functions are given	String
MoleculeQNElecStateLabel	A label identifying the molecule's electronic state	A label identifying the molecule's electronic state, e.g. 'X', 'A', 'b'	String
MoleculeQNF	F	The molecular state quantum number for total angular momentum including nuclear spin	Float
MoleculeQNF1	F1	The molecular state quantum number for angular momentum including hyperfine coupling with one nuclear spin, F1 = J + I1	Float
MoleculeQNF1nuclSpin	Identifier for the nucleus coupling its spin to give F1	Identifier for the nucleus coupling its spin to give F1: F1 = J + I1	String
MoleculeQNF2	F2	The molecular state quantum number for angular momentum including hyperfine coupling with the second of two nuclear spins: F2 = F1 + I2	Float
MoleculeQNF2nuclSpin	Identifier for the nucleus coupling its spin to give F2	Identifier for the second nucleus coupling its spin to give F2: F2 = F1 + I2	String
MoleculeQNFj	Fj	The Fj quantum number, for some intermediate nuclear spin coupling: Fj = Fj-1 + Ij (j>1), or Fj = J + Ij (j=1)	Float
MoleculeQNFjj	The integer j, identifying the order of this nuclear spin coupling	The integer j, identifying the order of this nuclear spin coupling where several nuclear spins couple: Fj = Fj-1 + Ij (j>1)	Integer
MoleculeQNFjnuclSpin	ID of the nuclear spin coupling to give quantum number Fj	ID of the nuclear spin coupling to give quantum number Fj	String
MoleculeQNFnuclSpin	ID of the nuclear spin coupling to give quantum number F	ID of the nuclear spin coupling to give quantum number F, the total angular momentum (including nuclear spin).	String
MoleculeQNI	The total nuclear spin quantum number for a coupled set of identical nuclear spins	The total nuclear spin quantum number for a coupled set of identical nuclear spins, I = I1 + I2 + ...	Float
MoleculeQNInuclSpin	QNI nuclear spin of molecule	QNI nuclear spin of molecule
MoleculeQNJ	J	The molecular J quantum number for total angular momentum excluding nuclear spin	Float
MoleculeQNK	K	K is the quantum number associated with the projection of the total angular momentum excluding nuclear spin, J, onto the molecular symmetry axis.	Integer
MoleculeQNKa	Ka	Ka is the rotational quantum label of an asymmetric top molecule, correlating to K in the prolate symmetric top limit.	Integer
MoleculeQNKc	Kc	Kc is the rotational quantum label of an asymmetric top molecule, correlating to K in the oblate symmetric top limit.	Integer
MoleculeQNLambda	Lambda	Lambda is the quantum number associated with the magnitude of the projection of the total electronic orbital angular momentum, L, onto the molecular axis.	Integer
MoleculeQNN	N	N is the quantum number associated with the total angular momentum excluding electronic and nuclear spin, N: J = N + S.	Integer
MoleculeQNOmega	Omega	Omega is the quantum number associated with the projection of the total angular momentum (excluding nuclear spin), J, onto the molecular axis.	Float
MoleculeQNS	S	S is the quantum number associated with the total electronic spin angular momentum.	Float
MoleculeQNSigma	Sigma	Sigma is the quantum number associated with the magnitude of the projection of S onto the molecular axis.	Float
MoleculeQNSpinComponentLabel	Spin component label	SpinComponentLabel is the positive integer identifying the spin-component label, Fx, where x=1,2,3,... in order of increasing energy for a given value of J - see Herzberg, Spectra of Diatomic Molecules, Van Nostrand, Princeton, N.J., 1950.	String
MoleculeQNasSym	Rovibronic wavefunction symmetry, a or s	a/s-symmetry: the symmetry of the rovibronic wavefunction, 'a' or 's' such that the total wavefunction including nuclear spin is symmetric or antisymmetric with respect to permutation of identical nuclei	String
MoleculeQNelecInv	Inversion-symmetry of the electronic wavefunction ('g' or 'u')	elecInv is the parity of the electronic wavefunction with respect to inversion through the molecular centre of mass in the molecular coordinate system ('g' or 'u')	String
MoleculeQNelecRefl	The symmetry of the electronic wavefunction, w.r.t. reflection in a plane containing the molecular symmetry axis ('+', or '-')	The parity of the electronic wavefunction with respect to reflection in a plane containing the molecular symmetry axis in the molecular coordinate system (equivalent to inversion through the molecular centre of mass in the laboratory coordinate system), '+' or '-'	String
MoleculeQNelecSym	Symmetry species of the electronic wavefunction	Symmetry species of the electronic wavefunction	String
MoleculeQNelecSymGroup	a string identifying the symmetry group this species belongs to	a string identifying the symmetry group this species belongs to	String
MoleculeQNkronigParity	Kronig (rotationless) parity label ('e' or 'f')	kronigParity is the 'rotationless' parity: the parity of the total molecular wavefunction excluding nuclear spin and rotation with respect to inversion through the molecular centre of mass of all particles' coordinates in the laboratory coordinate system, 'e' or 'f'	String
MoleculeQNl	The vibrational angular momentum quantum number, l	The vibrational angular momentum quantum number, l	Integer
MoleculeQNl2	For linear triatomic molecules, the vibrational angular momentum quantum number, l2, associated with the nu2 bending vibration	For linear triatomic molecules, the vibrational angular momentum quantum number associated with the nu2 bending vibration: l2 = v2, v2-2, ..., 1 or 0	Integer
MoleculeQNli	The vibrational angular momentum quantum number, l_i, associated with a degenerate vibrational mode, nu_i	The vibrational angular momentum quantum number, l_i, associated with a degenerate vibrational mode, nu_i: li = vi, vi-2, ..., 1 or 0	Integer
MoleculeQNliMode	An integer identifying the degenerate vibrational mode to which the li quantum number belongs	An integer identifying the degenerate vibrational mode to which the li quantum number belongs	Integer
MoleculeQNparity	Parity, '+' or '-'	Total parity: the parity of the total molecular wavefunction (excluding nuclear spin) with respect to inversion through the molecular centre of mass of all particles' coordinates in the laboratory coordinate system, the E* operation, '+' or '-'	String
MoleculeQNr	Ranking, quantum label	r is a named, positive integer label identifying the state if no other good quantum numbers or symmetries are known.	Integer
MoleculeQNrName	The name of the ranking label, r	A name, identifying the ranking label, r	String
MoleculeQNrotSym	rotSym is the symmetry species of the rotational wavefunction, in some appropriate symmetry group.	rotSym is the symmetry species of the rotational wavefunction, in some appropriate symmetry group.	String
MoleculeQNrotSymGroup	The symmetry group used in giving the rotational symmetry species label	The symmetry group used in giving the rotational symmetry species label	String
MoleculeQNrovibSym	Symmetry species of the rovibrational wavefunction, rotSym x vibSym, in some appropriate symmetry group	Symmetry species of the rovibrational wavefunction, rotSym x vibSym, in some appropriate symmetry group	String
MoleculeQNrovibSymGroup	a string identifying the symmetry group this species belongs to	a string identifying the symmetry group this species belongs to	String
MoleculeQNv	v	For diatomic molecules, the vibrational quantum number, v	Integer
MoleculeQNv1	v1	The v1 vibrational quantum number.	Integer
MoleculeQNv2	v2	The v2 vibrational quantum number.	Integer
MoleculeQNv3	v3	The v3 vibrational quantum number.	Integer
MoleculeQNvi	The vi vibrational quantum number for the ith normal mode	The vi vibrational quantum number for the ith normal mode	Integer
MoleculeQNviMode	An integer identifying the vibrational normal mode for the vi quantum number	An integer identifying the vibrational normal mode for the vi quantum number	Integer
MoleculeQNvibInv	Vibrational wavefunction inversion symmetry label, 's' or 'a'	vibInv is the parity of the vibrational wavefunction with respect to inversion through the molecular centre of mass in the molecular coordinate system. Only really necessary for molecules with a low barrier to such an inversion (for example, NH3), 's' or 'a'.	String
MoleculeQNvibRefl	The symmetry of the vibrational wavefunction with respect to reflection, '+' or '-'	vibRefl is the parity of the vibrational wavefunction with respect to reflection in a plane containing the molecular symmetry axis in the molecular coordinate system, '+' or '-'.	String
MoleculeQNvibSym	Vibrational wavefunction symmetry species	Vibrational wavefunction symmetry species	String
MoleculeQNvibSymGroup	The symmetry group used to specify the vibrational wavefunction symmetry species	The symmetry group used to specify the vibrational wavefunction symmetry species	String
MoleculeQnCase	Case name	Case name for the case-by-case molecular state description	String
MoleculeSpeciesID	ID for the molecular species	ID for the molecular species	String
MoleculeStableMolecularProperties	Molecular properties such as molecular weight	Molecular properties such as molecular weight
MoleculeStateAuxillary	This attribute should be set to true if and only if a state was added to be referenced as energyOrigin of StateEnergy or lowestEnergyStateRef of Nuclear spin isomer and does not actually match the conditions of a query that produced the document.	This attribute should be set to true if and only if a state was added to be referenced as energyOrigin of StateEnergy or lowestEnergyStateRef of Nuclear spin isomer and does not actually match the conditions of a query that produced the document.	Boolean
MoleculeStateDescription	A text description of this molecular state	A text description of this molecular state	String
MoleculeStateEnergy	The energy of a molecular state	The energy of a molecular state	Float	*
MoleculeStateEnergyOrigin	A string identifying where the origin is taken for the energy of this molecular state	A string identifying where the origin is taken for the energy of this molecular state	String
MoleculeStateExpansionCoeff	Coefficient for a basis state	Coefficient for a basis state	Float
MoleculeStateExpansionCoeffStateRef	Reference to the ID of this basis state	Reference to the ID of this basis state	String
MoleculeStateExpansionComments	Comments on state expansion of molecule	Comments on state expansion of molecule	String
MoleculeStateExpansionMethodRef	Reference to a specific method	Reference to a specific method	String
MoleculeStateExpansionSourceRef	Source reference	One or more source references - these entries should match the sourceID attributes of the Sources.	String
MoleculeStateFullyAssigned	A boolean value, asserting that the state is fully assigned (true) or not (false)	A boolean value, asserting that the state is fully assigned (true) or not (false)	Boolean
MoleculeStateID	A string, of the form 'Sxxx' identifying this molecular state	A string, of the form 'Sxxx' identifying this molecular state	String
MoleculeStateLifeTime	Lifetime	Molecular state lifetime in seconds	Float	*
MoleculeStateMixingCoefficient	Mixing coefficient of molecular state	Mixing coefficient of molecular state	String
MoleculeStateNSILowestEnergyStateRef	Reference to the state of this spin isomer having the lowest energy	Reference to the state of this spin isomer having the lowest energy	String
MoleculeStateNSILowestRoVibSym	The symmetry species of the rovibronic wavefunction of the lowest state of the nuclear spin isomer	The symmetry species of the rovibronic wavefunction of the lowest state of the nuclear spin isomer	String
MoleculeStateNSIName	Nuclear spin isomer name	Spin isomer conventional name, like 'ortho','para','meta','A','E'.	String
MoleculeStateNSISymGroup	The symmetry group used by MoleculeStateNSILowRoVibSym	The symmetry group used by MoleculeStateNSILowRoVibSym	String
MoleculeStateNuclearStatisticalWeight	Nuclear statistical weight	Nuclear statistical weight for a given molecular energy level	Integer
MoleculeStateParameterMatrix	A list of values to fill the matrix on the given form	A space-separated list of values for the matrix. For an arbitrary matrix, it has nrows*ncols entries. For a diagonal matrix there are nrows=ncols entries. For a symmetric matrix there are nrows(nrows+1)/2 entries etc.	String
MoleculeStateParameterMatrixColRefs	List of column names for matrix	This is a space-separated list of column names for the parameter matrix, as many as there are columns.	String
MoleculeStateParameterMatrixForm	Matrix form, such as "symmetric", "diagonal" etc	Molecular State parameter on matrix form; the matrix' form, such as "symmetric", "diagonal" etc.	String
MoleculeStateParameterMatrixNcols	Number of columns in matrix	Molecular State parameters in matrix form; number of matrix columns	Integer
MoleculeStateParameterMatrixNrows	Number of rows in matrix	Molecular state parameter data on matrix form, number of rows in matrix	Integer
MoleculeStateParameterMatrixRowRefs	List of row names of the matrix	This is a space-separated list of row names for the parameter matrix, as many as there are rows.	String
MoleculeStateParameterMatrixUnits	units of parameters on matrix data form	Molecular State parameters, units for data on matrix data form	String
MoleculeStateParameterMatrixValues	Type of matrix values: "real", "imaginary" or "complex"	Molecular State parameter on matrix form; type of matrix values: "real", "imaginary" or "complex".	String
MoleculeStateParameterValueData	State Parameter values	State parameter with a specific value	Float	*
MoleculeStateParameterVectorDataUnits	Units used in vector data	Molecular State vector data units	String
MoleculeStateParameterVectorRef	Reference string giving context	Molecular State parameter reference string giving context.	String
MoleculeStateParameterVectorX3	vector coordinate X	Molecular State parameter vector coordinate X	Float
MoleculeStateParameterVectorY3	vector coordinate Y	Molecular State parameter vector coordinate Y	Float
MoleculeStateParameterVectorZ3	vector coordinate Z	Molecular State parameter vector coordinate Z	Float
MoleculeStateParameters	State parameters	Additional parameters of molecular state	String
MoleculeStateParity	Parity of molecular state	Parity of molecular state	String
MoleculeStateQuantumNumbers	Quantum numbers of molecular state	Quantum numbers of molecular state
MoleculeStateTotalStatisticalWeight	Total statistical weight	Total statistical weight (degeneracy) for a given molecular energy level	Integer
MoleculeStoichiometricFormula	Molecular stoichiometric formula	Molecular stoichiometric formula	String
MoleculeStructure	The molecular structure, as defined in CML	The molecular structure, as defined in CML	String
MoleculeURLFigure	URL to figure of mulecule	URL to figure of mulecule	String

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Solids and Particles

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Keyword	Short Description	Long Description	Type	*
ParticleCharge	Particle Charge	Particle Charge	String
ParticleComment	Comment on particle	Comment on particle	String
ParticleMass	Particle mass	Particle mass		*
ParticleMethod	Method for particle data	Method for particle data	String
ParticleName	Particle name	Particle name, one of photon, electron, muon, positron, neutron, alpha, cosmic	String
ParticlePolarization	Particle polarization	Particle polarization	Float
ParticleRef	References for particle data	References for particle data	String
ParticleSpeciesID	Particle species ID	Particle species ID	String
ParticleSpin	Particle spin	Particle spin	Float
SolidComment	Comment on solid	Comment on solid	String
SolidLayerComment	Comment on solid layer	Comment on solid layer	String
SolidLayerComponentComment	Comment on solid layer component	Comment on solid layer component	String
SolidLayerComponentElementSymbol	Element symbol of solid layer component	Element symbol of solid layer component	String
SolidLayerComponentMethod	Method for solid layer component	Method for solid layer component	String
SolidLayerComponentNuclearCharge	Nuclear charge of solid layer component	Nuclear charge of solid layer component	String
SolidLayerComponentPercentage	Percentage of solid layer component	Percentage of solid layer component	Float
SolidLayerComponentRef	References for solid layer component	References for solid layer component	String
SolidLayerComponentStochiometricValue	Stochiometric value of solid layer component	Stochiometric value of solid layer component	Float
SolidLayerName	Solid layer name	Solid layer name	String
SolidLayerTemperature	Solid layer temperature	Solid layer temperature		*
SolidLayerThickness	Solid layer thickness	Solid layer thickness		*
SolidLayerTopology	Solid layer topology	Solid layer topology
SolidMethod	Method for solid data	Method for solid data	String
SolidRef	References for solid data	References for solid data	String
SolidSpeciesID	Solid species ID	Solid species ID	String

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Processes

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Environments, Functions, Methods and Sources

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Keyword	Short Description	Long Description	Type	*
EnvironmentComment	Comment on environment	Comment on environment	String
EnvironmentID	An ID of the form "Exxx" identifying this Environment	An ID of the form "Exxx" identifying this Environment	String
EnvironmentRef	A reference to the ID, of the form 'Exxx', identifying the environment referenced here	A reference to the ID, of the form 'Exxx', identifying the environment referenced here	String
EnvironmentSpecies	A species contributing to an Environment	A species contributing to an Environment
EnvironmentSpeciesConcentration	The concentration of a species contributing to an Environment	The concentration of a species contributing to an Environment	Float	*
EnvironmentSpeciesMoleFraction	The mole fraction of a species contributing to an Environment	The mole fraction of a species contributing to an Environment	Float	*
EnvironmentSpeciesName	The name of a species contributing to an Environment	The name of a species contributing to an Environment	String
EnvironmentSpeciesPartialPressure	The partial pressure of a species contributing to an Environment	The partial pressure of a species contributing to an Environment	Float	*
EnvironmentSpeciesRef	The reference to an ID of a species contributing to an Environment	The reference to an ID of a species contributing to an Environment	String
EnvironmentTemperature	Environment temperature	Environment temperature	Float	*
EnvironmentTotalNumberDensity	The total number density of particles comprising an Environment	The total number density of particles comprising an Environment	Float	*
EnvironmentTotalPressure	Environment total pressure	Environment total pressure	Float	*
FunctionArgumentDescription	Description of the function to an argument	Description of the function to an argument	String
FunctionArgumentLowerLimit	The lower limit of validity for this argument to the fit or model function	The lower limit of validity for this argument to the fit or model function	Float
FunctionArgumentName	The name of this argument to the fit or model function	The name of this argument to the fit or model function	String
FunctionArgumentUnits	The units of this argument to the fit or model function	The units of this argument to the fit or model function	String
FunctionArgumentUpperLimit	The upper limit of validity for this argument to the fit or model function	The upper limit of validity for this argument to the fit or model function	Float
FunctionComputerLanguage	The language the functional expression is written in	The language the functional expression is written in
FunctionDescription	A description of this function	A description of this function	String
FunctionExpression	The actual function definition	The actual function definition
FunctionID	A unique identifier for this function, of the form 'Fxxx'	A unique identifier for this function, of the form 'Fxxx'	String
FunctionName	The name of this function	The name of this function	String
FunctionParameterDescription	A description of this parameter to the fit or model function	A description of this parameter to the fit or model function	String
FunctionParameterName	A name of this parameter to the fit or model function	A name of this parameter to the fit or model function	String
FunctionParameterUnits	A units of this parameter to the fit or model function	A units of this parameter to the fit or model function	String
FunctionReferenceFrame	reference frame for function	reference frame for function
FunctionSourceCodeURL	URL for function source code	URL for function source code
FunctionSourceRef	Reference for function source	Reference for function source
FunctionYDescription	Description of Y in function	Description of Y in function
FunctionYLowerLimit	Lower limit for Y in function	Lower limit for Y in function	Float
FunctionYName	The left-hand side of the function definition (y = ...)	The left-hand side of the function definition (y = ...)
FunctionYUnits	Units for Y in function	Units for Y in function
FunctionYUpperLimit	Upper limit for Y in function	Upper limit for Y in function	Float
MethodCategory	Method category.	Method category. Allowed values are: experiment, theory, ritz, recommended, evaluated, empirical, scalingLaw, semiempirical, compilation, derived	String
MethodComment	Comment on Method	Comment on Method	String
MethodDescription	Description of method	Description of method	String
MethodID	Method ID	Method ID	String
MethodRef	References for method	References for method	String
SourceArticleNumber	Article number	Article number	String
SourceAuthorName	Author	Name of one of the authors	String
SourceCategory	Category	Type of publication, e.g. journal, book etc.	String
SourceComments	Comments and notes connected with a Source (reference)	Comments and notes connected with a Source (reference)	String
SourceDOI	Source DOI	Digital Object Identifier of bibliography source	String
SourceID	Source ID	Source ID	String
SourceName	Publication name	E.g. JQSRT	String
SourcePageBegin	Page	Starting page number	Integer
SourcePageEnd	Source page end	Source page end
SourceTitle	Title	Full title of the paper	String
SourceURI	URI	Webb link to the publication	String
SourceVolume	Volume	Volumen number	Integer
SourceYear	Year	Publication Year	Integer

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Unclassified Keywords

Keyword	Short Description	Long Description	Type
MoleculeBasisState	A single basis state in the description of a molecular state as an expansion in some basis	A single basis state in the description of a molecular state as an expansion in some basis
MoleculeBasisStateComment	A comment relating to this basis state	A comment relating to this basis state	String
MoleculeBasisStateID	The ID for this basis state	The ID for this basis state	String
MoleculeBasisStateMethod	Method relating to this basis state	Method relating to this basis state	String
MoleculeBasisStateRef	A source (reference) for this basis state	A source (reference) for this basis state	String
MoleculeBasisStatesComment	A Comment relating to this set of Basis states	A Comment relating to this set of Basis states	String
MoleculeBasisStatesMethod	A Method relating to this set of Basis states	A Method relating to this set of Basis states	String
MoleculeBasisStatesRef	One or more source references relating to this set of Basis states	One or more source references relating to this set of Basis states	String
NodeID	Node identifier	A unique string for each VAMDC node. For example used for xsams-internal referencing. This MUST be filled.	String
RadTransTransitionType	A string, 'excitation' or 'deexcitation', determining whether a radiative transition is given in absorption or emission respectively	A string, 'excitation' or 'deexcitation', determining whether a radiative transition is given in absorption or emission respectively	String

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Description of the columns in the table above:

Keyword: The actual name of the dictionary entry. These are what is used in the query language and when you fill Restrictables and Returnables.
Short Description: Human-readable short text about the meaning. To be used e.g. as label text for a web-form
Long Description: Human-readable longer text, to be used eg. in a help-box.
Type: What type of data are associated with the keyword. choices are: string, float, integer, boolean.
*: This column marks if a keyword corresponds to a "DataType" in the XSAMS schema. If SomeKeyword is marked here, it means that also the following keywords can be used
- SomeKeywordUnit
- SomeKeywordRef
- SomeKeywordComment
- SomeKeywordMethod
- SomeKeywordAccuracy
- SomeKeywordAccuracyConfidence
- SomeKeywordAccuracyRelative
- SomeKeywordAccuracyType
- SomeKeywordEval
- SomeKeywordEvalMethod
- SomeKeywordEvalRecommended
- SomeKeywordEvalRef
- SomeKeywordEvalComment
which for the sake of overview are not listed for each keyword above. Please refer to the schema documentation on how these are to be filled.

The VAMDC dictionary

Atoms and atomic states

Molecules, their states and quantum numbers

Solids and Particles

Processes

Environments, Functions, Methods and Sources

Unclassified Keywords

Dictionary

Links