{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.751128 0.75 ] [ 0.5 0.248872 0.25 ] [ 0 0.251128 0.75 ] [ 0 0.748872 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0.037298 0.25 ] [ 0 0.962702 0.75 ] [ 0.5 0.537298 0.25 ] [ 0.5 0.462702 0.75 ] [ 0 0.119546 0.045567 ] [ 0 0.880454 0.954433 ] [ 0.5 0.065012 0.75 ] [ 0.5 0.934988 0.25 ] [ 0 0.119546 0.454433 ] [ 0 0.880454 0.545567 ] [ 0.5 0.619546 0.045567 ] [ 0.5 0.380454 0.954433 ] [ 0 0.565012 0.75 ] [ 0 0.434988 0.25 ] [ 0.5 0.619546 0.454433 ] [ 0.5 0.380454 0.545567 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ho" "Ho" "Ho" "Ho" "Cd" "Cd" "Cd" "Cd" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.53642091 "source-unit" "angstrom" } "b" { "source-value" 17.37867462 "source-unit" "angstrom" } "c" { "source-value" 11.86578244 "source-unit" "angstrom" } }