{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnn" } "basis-atom-coordinates" { "source-value" [ [ 0.700212 0.298178 0.640709 ] [ 0.200212 0.701822 0.640709 ] [ 0.299788 0.798178 0.140709 ] [ 0.200212 0.798178 0.859291 ] [ 0.299788 0.701822 0.359291 ] [ 0.799788 0.298178 0.359291 ] [ 0.700212 0.201822 0.859291 ] [ 0.799788 0.201822 0.140709 ] [ 0.25 0.201312 0.5 ] [ 0.25 0.298688 0 ] [ 0.75 0.798688 0.5 ] [ 0.75 0.701312 0 ] [ 0.271107 0.25 0.25 ] [ 0.728893 0.75 0.75 ] [ 0.228893 0.25 0.75 ] [ 0.771107 0.75 0.25 ] [ 0.927682 0.06807 0.436014 ] [ 0.572318 0.06807 0.563986 ] [ 0.927682 0.43193 0.063986 ] [ 0.572318 0.43193 0.936014 ] [ 0.072318 0.93193 0.563986 ] [ 0.427682 0.93193 0.436014 ] [ 0.072318 0.56807 0.936014 ] [ 0.427682 0.56807 0.063986 ] [ 0.016166 0.542694 0.412091 ] [ 0.516166 0.042694 0.087909 ] [ 0.016166 0.957306 0.087909 ] [ 0.483834 0.957306 0.912091 ] [ 0.983834 0.457306 0.587909 ] [ 0.516166 0.457306 0.412091 ] [ 0.983834 0.042694 0.912091 ] [ 0.483834 0.542694 0.587909 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Br" "Br" "Br" "Br" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.81917154 "source-unit" "angstrom" } "b" { "source-value" 5.84069091 "source-unit" "angstrom" } "c" { "source-value" 19.30941536 "source-unit" "angstrom" } }