{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.593023 0.541989 ] [ 0.25 0.906977 0.041989 ] [ 0.75 0.093023 0.958011 ] [ 0.25 0.406977 0.458011 ] [ 0.75 0.636871 0.277683 ] [ 0.25 0.863129 0.777683 ] [ 0.75 0.136871 0.222317 ] [ 0.25 0.363129 0.722317 ] [ 0.75 0.898635 0.422689 ] [ 0.25 0.601365 0.922689 ] [ 0.75 0.398635 0.077311 ] [ 0.25 0.101365 0.577311 ] [ 0.75 0.699817 0.073015 ] [ 0.25 0.800183 0.573015 ] [ 0.75 0.199817 0.426985 ] [ 0.25 0.300183 0.926985 ] [ 0.75 0.629413 0.777375 ] [ 0.25 0.870587 0.277375 ] [ 0.75 0.129413 0.722625 ] [ 0.25 0.370587 0.222625 ] [ 0.75 0.87858 0.187982 ] [ 0.25 0.62142 0.687982 ] [ 0.75 0.37858 0.312018 ] [ 0.25 0.12142 0.812018 ] [ 0.75 0.288221 0.588922 ] [ 0.25 0.211779 0.088922 ] [ 0.75 0.788221 0.911078 ] [ 0.25 0.711779 0.411078 ] [ 0.75 0.920129 0.626781 ] [ 0.25 0.579871 0.126781 ] [ 0.75 0.420129 0.873219 ] [ 0.25 0.079871 0.373219 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.90539853 "source-unit" "angstrom" } "b" { "source-value" 12.96770507 "source-unit" "angstrom" } "c" { "source-value" 16.57581682 "source-unit" "angstrom" } }