Property Definition (short name)
A common way to refer to the Property Definition. Note there may be multiple Property Definitions with the same short name, to fully distinguish between Property Definitions the full Tag URI must be used (the Property Definition ID).
 elasticconstantsisothermalcubiccrystalnpt 

Property Definition ID
The full Property Definition identifier using the Tag URI scheme.
 tag:staff@noreply.openkim.org,20140521:property/elasticconstantsisothermalcubiccrystalnpt 
Title
A brief onesentence description of this Property Definition.
 Isothermal elastic constants for a cubic crystal at constant temperature and stress 
Description
A description about this Property Definition.
 The three independent isothermal elastic constants c11, c12 and c44 for a cubic crystal at a constant given temperature and stress. (The elastic constants are the 2nd derivatives of the strain energy density with respect to strain.) 
Contributor
The user or organization who initially contributed this Property Definition.
 karls 
Maintainer
The user or organization who currently maintains this Property Definition.
 karls 
Creation date
The date the Property Definition was "minted", based on its Tag URI.
 20140521 
Content on GitHub
The following content may be available on GitHub: Property Definition (an EDN file containing the Property Definition Keys listed below); Physics Validator (a script provided by the user for validating that an instance of the Property is physically valid); Property Documentation Wiki (the contents of the Wiki displayed at the bottom of this page).

Property Definition Physics Validator Property Documentation Wiki 
type  float 

hasunit  true 
extent  [] 
required  true 
description  Average equilibrium conventional lattice constant of the cubic crystal. 
type  float 

hasunit  false 
extent  [":" 3] 
required  true 
description  Fractional coordinates of the basis atoms in the conventional unit cell. If the unit cell vectors are denoted by <a>, <b>, and <c>, and the fractional coordinates of atom 'i' are [afrac_i, bfrac_i, cfrac_i], the value of 'basisatomcoordinates' will be of the form [[afrac_1 bfrac_1 cfrac_1] [afrac_2 bfrac_2 cfrac_2] ... ]. All components of each basis atom should be between zero and one, inclusive of zero. 
type  float 

hasunit  true 
extent  [] 
required  true 
description  The 11 component of the isothermal elasticty matrix in Voigt notation, which corresponds to the 1111 component of the 4th order elasticity tensor. The orthonormal basis used to express the tensor should be aligned with the cubic 4fold axes of the crystal. 
type  float 

hasunit  true 
extent  [] 
required  true 
description  The 12 component of the isothermal elasticty matrix in Voigt notation, which corresponds to the 1122 component of the 4th order elasticity tensor. The orthonormal basis used to express the tensor should be aligned with the cubic 4fold axes of the crystal. 
type  float 

hasunit  true 
extent  [] 
required  true 
description  The 44 component of the isothermal elasticty matrix in Voigt notation, which corresponds to the 2323 component of the 4th order elasticity tensor. The orthonormal basis used to express the tensor should be aligned with the cubic 4fold axes of the crystal. 
type  float 

hasunit  true 
extent  [6] 
required  true 
description  The [xx,yy,zz,yz,xz,xy] (i.e. [11,22,33,23,13,12]) components of the Cauchy stress acting on the periodic cell. The orthonormal basis used to express the stress should be aligned with the cubic 4fold axes of the crystal and the expected form of the stress tensor should be [d d d 0 0 0], where d > 0 indicates tensile stress. 
type  string 

hasunit  false 
extent  [":"] 
required  true 
description  The element symbols of the basis atoms. The order in which the species are specified must correspond to the order of the atoms listed in 'basisatomcoordinates'. 
type  float 

hasunit  true 
extent  [] 
required  true 
description  Temperature of the crystal. 
type  float 

hasunit  true 
extent  [] 
required  false 
description  Total square numerical asymmetry of the calculated elastic constants, in Voigt notation, \sqrt{ \sum_{i>j} (\C_{ij}  \C_{ji})^2 } 
type  string 

hasunit  false 
extent  [":"] 
required  false 
description  Short name defining the cubic crystal type. 
type  string 

hasunit  false 
extent  [] 
required  false 
description  HermannMauguin designation for the space group associated with the symmetry of the crystal (e.g. Immm, Fm3m, P6_3/mmc). 
type  float 

hasunit  false 
extent  [":" 3] 
required  false 
description  Coordinates of the unique Wyckoff sites used in the fully symmetryreduced description of the crystal, given as fractions of the lattice vectors. The order of elements in this array must correspond to the order of the entries listed in 'wyckoffspecies' and 'wyckoffmultiplicityandletter'. 
type  string 

hasunit  false 
extent  [":"] 
required  false 
description  Multiplicity and standard letter of the unique Wyckoff sites used in the fully symmetryreduced description of the crystal (e.g. 4a, 2b). Note that the sum of the Wyckoff multiplicities should equal the total number of elements in 'basisatomcoordinates'. The order of elements in this array must correspond to the order of the entries listed in 'wyckoffspecies' and 'wyckoffcoordinates'. 
type  string 

hasunit  false 
extent  [":"] 
required  false 
description  The element symbol of the atomic species of the unique Wyckoff sites used in the fully symmetryreduced description of the crystal. The order of the entries must correspond to the order of the entries in 'wyckoffmultiplicityandletter' and 'wyckoffcoordinates'. 