{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.099874 0.870689 ] [ 0.75 0.599874 0.629311 ] [ 0.25 0.900126 0.129311 ] [ 0.25 0.400126 0.370689 ] [ 0.75 0.334706 0.535392 ] [ 0.25 0.665294 0.464608 ] [ 0.25 0.165294 0.035392 ] [ 0.75 0.834706 0.964608 ] [ 0.75 0.52981 0.186711 ] [ 0.25 0.47019 0.813289 ] [ 0.75 0.02981 0.313289 ] [ 0.25 0.97019 0.686711 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Se" "Se" "Se" "Se" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.18734571 "source-unit" "angstrom" } "b" { "source-value" 9.1637131 "source-unit" "angstrom" } "c" { "source-value" 11.10048821 "source-unit" "angstrom" } }