{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmme" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.507181 ] [ 0 0.75 0.492819 ] [ 0.5 0.75 0.507181 ] [ 0.5 0.25 0.492819 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.2625 0.140661 0.757686 ] [ 0.2375 0.859339 0.757686 ] [ 0.2625 0.859339 0.242314 ] [ 0.2375 0.140661 0.242314 ] [ 0 0.35243 0.981878 ] [ 0 0.14757 0.981878 ] [ 0 0.64757 0.018122 ] [ 0 0.85243 0.018122 ] [ 0.7625 0.859339 0.757686 ] [ 0.7375 0.140661 0.757686 ] [ 0.7625 0.140661 0.242314 ] [ 0.7375 0.859339 0.242314 ] [ 0.7625 0.640661 0.757686 ] [ 0.7375 0.359339 0.757686 ] [ 0.7625 0.359339 0.242314 ] [ 0.7375 0.640661 0.242314 ] [ 0.5 0.85243 0.981878 ] [ 0.5 0.64757 0.981878 ] [ 0.5 0.14757 0.018122 ] [ 0.5 0.35243 0.018122 ] [ 0.2625 0.359339 0.757686 ] [ 0.2375 0.640661 0.757686 ] [ 0.2625 0.640661 0.242314 ] [ 0.2375 0.359339 0.242314 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Pa" "Pa" "Pa" "Pa" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.05401728418 "source-unit" "angstrom" } "b" { "source-value" 11.5867839818 "source-unit" "angstrom" } "c" { "source-value" 7.05852469 "source-unit" "angstrom" } }