{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.6674 0.146275 ] [ 0.5 0.3326 0.853725 ] [ 0 0.6674 0.853725 ] [ 0 0.3326 0.146275 ] [ 0 0.1674 0.646275 ] [ 0 0.8326 0.353725 ] [ 0.5 0.1674 0.353725 ] [ 0.5 0.8326 0.646275 ] [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0.5 0.185507 0.100885 ] [ 0 0.185507 0.899115 ] [ 0 0.814493 0.100885 ] [ 0.5 0.814493 0.899115 ] [ 0 0.685507 0.600885 ] [ 0.5 0.685507 0.399115 ] [ 0.5 0.314493 0.600885 ] [ 0 0.314493 0.399115 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mn" "Mn" "Mn" "Mn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.70347797 "source-unit" "angstrom" } "b" { "source-value" 7.37592665 "source-unit" "angstrom" } "c" { "source-value" 13.89599331 "source-unit" "angstrom" } }