{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.246474 0.75 ] [ 0.5 0.753526 0.25 ] [ 0 0.746474 0.75 ] [ 0 0.253526 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.964988 0.75 ] [ 0.5 0.035012 0.25 ] [ 0 0.464988 0.75 ] [ 0 0.535012 0.25 ] [ 0.5 0.878782 0.567044 ] [ 0.5 0.121218 0.432956 ] [ 0 0.939265 0.25 ] [ 0 0.060735 0.75 ] [ 0.5 0.878782 0.932956 ] [ 0.5 0.121218 0.067044 ] [ 0 0.378782 0.567044 ] [ 0 0.621218 0.432956 ] [ 0.5 0.439265 0.25 ] [ 0.5 0.560735 0.75 ] [ 0 0.378782 0.932956 ] [ 0 0.621218 0.067044 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Pr" "Pr" "Pr" "Pr" "Zn" "Zn" "Zn" "Zn" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.54921033 "source-unit" "angstrom" } "b" { "source-value" 17.3403524 "source-unit" "angstrom" } "c" { "source-value" 12.11741712 "source-unit" "angstrom" } }